RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 1.7787 -1.1053 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -1.5829 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -1.7112 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -1.2955 2.6011 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 0.3555 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 1.1329 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.0980 0.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.4349 -1.3522 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8358 2.1690 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 1.2366 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 0.3300 -1.1243 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 1.4640 0.1706 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3066 -0.6624 -2.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 0.6104 -1.0666 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3808 1.3440 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 1.1534 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 2.5364 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 -0.6745 -2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1027 -0.5790 -0.6336 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.0368 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 -0.1251 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 -1.1245 1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 0.0218 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 -1.1864 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -2.1295 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -0.8216 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 0.7535 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 0.3776 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 -0.9266 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 8 13 1 0 8 14 1 0 8 15 1 6 16 12 1 0 14 12 1 0 12 17 1 6 13 18 1 0 14 19 1 0 14 20 1 6 21 16 1 0 19 21 1 0 22 21 1 0 21 23 1 0 22 24 1 0 22 25 1 0 22 26 1 0 23 27 1 0 23 28 1 0 23 29 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 0.8784 -2.1346 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -1.9849 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 -2.8664 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 -3.0882 0.4762 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 -0.8131 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 -0.2343 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 0.3138 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -1.0311 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 -1.3482 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.9097 1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9483 0.3868 -1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 1.6529 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 0.0260 -0.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 0.4088 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 -2.0887 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 -1.8726 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 -0.7162 0.3970 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 1.8983 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 0.5129 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0105 1.4640 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 1.5756 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 0.7379 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 -0.3678 -1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 2.4675 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 -0.6077 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 2.8097 1.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 1.4865 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 2.5034 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 10 6 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 18 1 0 21 12 1 0 12 24 1 0 13 25 1 0 26 18 2 0 21 27 1 0 21 28 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 2.1174 -1.1838 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -0.8924 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -2.2813 0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 -0.5738 -1.5115 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -0.6528 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 0.9165 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -1.1609 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 -1.2564 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 1.6764 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 1.2933 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 1.2349 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -0.6877 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 -2.2560 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3686 -0.7721 2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5656 -0.8943 -1.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 -2.3488 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 -0.8935 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 1.2915 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 1.5706 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 3.7767 0.5469 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 0.0446 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 2.0558 -1.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 1.9134 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 -0.8725 2.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1592 -1.8132 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -0.4333 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 0.3046 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 2.8947 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 7 5 1 0 5 8 1 0 6 9 1 0 10 6 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 21 10 1 0 10 22 1 0 10 23 1 0 21 12 1 0 24 12 2 0 15 21 1 0 15 25 1 0 15 26 1 0 21 27 1 0 22 28 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.7194 0.3540 1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 0.4662 2.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 -0.3851 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 2.2402 1.6086 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 -0.1705 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.9273 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 0.6900 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2005 -1.1573 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 -1.5128 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 -1.6529 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 0.3272 -1.5901 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 -0.0270 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.7711 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 0.5132 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -1.5537 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 -2.0125 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4447 0.6827 0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7163 -0.4230 -1.2492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 0.5093 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 0.2957 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 1.3829 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 -0.3788 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 1.2453 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 -0.2768 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 12 8 1 0 8 15 1 0 8 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 20 18 1 0 19 20 1 0 19 21 1 0 19 22 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.1596 0.7792 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 1.4266 1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 1.4392 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -0.5687 1.8428 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 0.0845 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4994 -0.3382 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -0.8389 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 1.0994 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 -0.3564 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 0.4100 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 -2.2659 -1.5551 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -0.0347 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -0.7433 1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 -1.9045 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 1.5487 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 1.9175 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 0.2305 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 -0.6395 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 -0.2606 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 -0.3776 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 1.2780 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.1597 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -1.7255 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 12 8 1 0 8 15 1 0 8 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 17 20 1 0 17 21 1 0 19 18 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 4.1641 0.0251 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -0.8852 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 0.1637 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 1.6839 0.7482 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 -0.1146 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 -1.2456 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 -0.4207 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 0.8454 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 -0.4274 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -2.2751 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 -1.2183 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -1.3725 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 0.3750 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 1.7684 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 1.0726 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -0.6011 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -0.4273 -0.5834 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -1.5666 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9055 0.1524 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 0.2316 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -2.0855 -1.7318 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -0.3772 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 1.7345 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 0.1758 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 -0.2582 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6153 0.1154 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8233 -1.4441 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 1.9421 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.1822 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 2.2512 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 17 16 1 0 16 18 1 0 16 19 1 0 20 17 1 0 17 21 1 0 22 20 1 0 20 23 1 0 20 24 1 0 22 25 1 0 22 26 1 0 22 27 1 0 23 28 1 0 23 29 1 0 23 30 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 2.3084 -0.8243 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -0.8345 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -1.8787 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 0.1215 1.0888 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 -0.2034 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 1.2524 -0.3743 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.4140 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.9973 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 1.9877 -1.9991 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 1.7443 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -0.0011 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 0.1683 2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -1.4654 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -0.4715 -0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 -2.0615 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.9511 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 0.6049 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 2.2281 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 2.5090 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 -0.8693 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 0.7242 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 -1.2969 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -0.0545 -1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 0.9831 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 10 6 1 0 7 11 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 10 1 0 10 18 1 0 10 19 1 0 11 17 1 0 11 20 1 0 11 21 1 0 17 14 1 0 14 22 1 0 14 23 1 0 17 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9795 -0.2001 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 -0.8101 1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 0.7803 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -1.0691 -1.5016 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -0.0521 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 -1.3113 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 0.8589 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 0.8649 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 -0.7041 -0.2404 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 -1.9759 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -1.8707 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 0.7367 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 1.8666 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5272 0.4370 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 0.4404 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 1.8703 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -1.3315 0.9539 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 1.4696 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 12 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 12 1 0 12 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.5441 1.1926 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 2.1342 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 1.1334 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 1.3443 1.6002 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 0.0401 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 0.1475 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 -0.5015 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -1.3423 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 0.1326 -0.6501 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.7330 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0201 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 -0.6579 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -0.0990 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -2.2099 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 -1.5083 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.9762 -0.3288 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -1.7107 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.3585 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 8 1 0 7 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 12 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.4527 0.4046 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 1.2861 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.0829 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 0.9984 -0.8742 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 -0.5735 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 -1.0378 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 0.0075 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 -1.4339 -0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5621 -0.0752 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.8644 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -2.0963 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 -0.6803 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 0.9770 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 1.0838 0.6272 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9812 -0.4760 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 2.8694 -0.2847 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 0.4231 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2362 -1.5332 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -0.1077 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3848 -0.1341 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1974 1.0454 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 14 1 0 9 15 1 0 14 16 1 0 17 14 1 0 15 17 1 0 15 18 1 0 15 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0664 -0.3434 -0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 -0.5094 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -1.2592 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 1.2712 -1.0243 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -0.1218 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -1.3245 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 1.0591 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 0.0008 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -0.6517 0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -1.8287 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 -2.0643 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 0.9828 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 0.5993 1.4293 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 2.0319 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6467 -0.2221 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -1.2668 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 0.8583 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 1.8871 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 1.8364 2.1118 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -1.0143 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.0791 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 13 1 0 9 15 1 0 9 16 1 0 15 12 1 0 12 17 1 0 12 18 1 0 13 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 2.1318 -0.0876 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 0.4824 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -1.0072 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 1.0697 -0.9993 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7926 -0.4164 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 -1.4368 0.2241 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 0.8021 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -0.8043 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.9878 2.1272 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.0892 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 1.4076 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 0.3759 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 1.4119 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -1.3271 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 -1.6426 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 2.4359 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 1.1329 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 0.6805 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 11 7 1 0 7 12 1 0 7 13 1 0 10 12 1 0 10 14 1 0 10 15 1 0 12 11 1 0 11 16 1 0 11 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2623 -0.9184 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 -0.1822 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 -1.9134 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 -0.7429 -3.5034 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 -0.7358 -0.6360 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0787 -1.0794 0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 0.7382 -0.5801 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8887 -1.2986 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -2.8653 1.4297 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 0.0782 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.2422 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 1.2260 0.8030 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1684 1.3366 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 0.0555 2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 0.1721 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 2.2019 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 0.5246 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 2.1607 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 6 6 9 1 0 6 10 1 0 11 7 1 0 7 12 1 0 7 13 1 6 10 12 1 0 10 14 1 0 10 15 1 0 12 11 1 0 11 16 1 0 11 17 1 0 12 18 1 6 M END $$$$ RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 1.8103 1.9982 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 2.7040 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 1.8699 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 2.9104 -0.9024 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 0.6481 -0.0259 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3687 -0.4409 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 0.1752 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 0.8163 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 -1.8694 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 -0.3802 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -0.2486 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.1233 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 1.1283 0.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 0.0630 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -2.0939 -0.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7645 -2.8169 -0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -2.0527 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -0.7283 -0.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 -1.6387 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 0.5736 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.9591 -2.5708 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -3.1261 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -2.7417 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 1.4743 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.4627 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 2.4915 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 1.0773 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 1.5467 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 -0.1795 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 1.4415 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1087 0.0181 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 6 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 12 1 0 18 12 1 0 12 19 1 0 13 20 1 0 15 21 1 0 15 22 1 6 16 23 1 0 20 18 1 0 24 20 1 0 20 25 1 0 24 26 1 0 24 27 1 0 24 28 1 0 25 29 1 0 25 30 1 0 25 31 1 0 M END $$$$ RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 2.4910 1.3804 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.8880 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 2.3392 -0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.6951 -2.7636 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 0.5267 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 0.4545 1.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 0.9747 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -0.4856 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.3550 0.8337 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8507 -1.2568 2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 0.4844 0.8763 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1044 -0.9512 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -1.6613 1.9913 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1064 -0.7101 2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -2.1250 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -0.5012 1.2736 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6182 0.9900 -0.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 1.3160 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 -2.0112 3.9364 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -2.5816 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 -0.9474 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -0.0229 1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 0.1456 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 0.9645 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 -0.4095 -2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7966 0.3473 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 1.3778 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 1.8116 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 0.3947 -2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.0710 -2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -1.0010 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 10 9 1 0 9 11 1 0 9 12 1 6 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 1 13 19 1 0 16 13 1 0 13 20 1 6 21 16 1 0 16 22 1 1 17 23 1 0 23 21 1 0 24 23 1 0 23 25 1 0 24 26 1 0 24 27 1 0 24 28 1 0 25 29 1 0 25 30 1 0 25 31 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0972 0.2852 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 1.1356 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.5404 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -1.4341 0.4169 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.0552 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.3219 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 -0.1822 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -0.9182 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.3189 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.1624 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 1.7135 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.4588 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -1.2162 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -0.7305 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -0.6301 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -1.9555 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.1043 1.6214 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 -0.3684 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 -1.6610 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2429 0.4345 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 0.4819 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.3837 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 2.2713 -0.9064 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.1147 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 1.1372 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -1.1428 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.1158 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2690 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 1.3360 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2585 2.0902 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -1.0308 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.0747 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -1.1273 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 0.0130 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.0981 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 0.6393 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.0995 0.9092 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.9720 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -1.9039 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 0.8518 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.8892 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3688 -0.1830 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.2346 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.4502 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.1325 0.2240 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.1121 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -1.0348 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.8064 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 1.3636 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.9135 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -0.6300 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -2.0529 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -0.2013 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.7739 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 1.5808 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 1.6300 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.0495 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.8637 -0.0796 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 0.3572 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.7940 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 2.4700 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.3776 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 0.3967 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 22 26 0 0 0 0 0 0 0 0999 V2000 -2.8079 0.3772 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 1.4378 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.1720 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 -0.2673 1.5736 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 0.1546 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 0.5277 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 -1.1894 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3593 0.8065 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.8089 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 1.1807 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 0.9590 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -0.5403 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -2.1610 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6361 1.4663 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -0.1613 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 -1.4644 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.1511 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -0.9759 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -0.4084 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 0.6586 1.4490 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -1.4785 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -0.0920 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 19 15 1 0 19 20 1 0 19 21 1 0 19 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4545 -0.0008 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.9013 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 0.0415 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 -1.7224 -0.5297 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 -0.0428 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 1.0671 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -0.0101 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 -1.0565 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 0.0431 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 1.1757 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 2.0605 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 0.8756 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 -0.9064 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -2.0574 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -1.1469 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 0.0020 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 1.7076 -1.2287 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 -0.0229 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 -0.9081 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.5211 0.3341 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -0.4530 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 0.2984 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 2.2173 0.9541 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 0.0619 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 0.1276 1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.0285 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -1.3019 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 0.0942 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -0.7308 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 1.0448 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 1.0167 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 2.0734 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -1.2619 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -2.1402 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -1.3714 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 0.6153 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -1.2846 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 -2.1001 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -0.5238 1.6853 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 1.6617 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.5941 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 14 1 0 14 18 1 0 14 19 1 0 17 20 1 0 17 21 1 0 17 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.3533 1.0681 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 0.7468 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 0.7469 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 3.2045 -0.5948 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 0.3741 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 0.6834 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.1617 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.6212 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 -0.3023 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 0.4277 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 1.7225 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -1.6216 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 -1.6435 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.4192 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 0.1594 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 1.6772 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.0588 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 -0.4727 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -2.3483 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.1007 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 0.9994 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -0.6451 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 1.3207 -0.5784 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.8907 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -1.2049 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.8726 0.0861 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 0.0027 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 -0.7995 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 1.8079 -1.0229 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 0.0711 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 -1.2472 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 0.0853 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 1.2343 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -1.3450 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -2.1148 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -1.3127 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -0.0129 -1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 1.0022 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 -0.7468 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 1.1361 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 1.2333 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 2.2047 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -0.0989 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 -2.2587 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -1.4566 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -0.8914 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 0.8601 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 1.0888 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 2.0627 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 -0.2811 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 1.3059 -0.5702 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -0.4067 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -1.2089 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 25 18 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.3023 -1.1039 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 -2.1711 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 -0.8270 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -0.8398 -2.4846 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.2834 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 -0.6821 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -0.7670 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 1.2449 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 -0.2695 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.1037 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -1.7485 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 -0.2849 1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -1.8521 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 1.9567 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.6186 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 1.5043 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 -1.0731 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 1.2615 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 1.9668 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 3.0087 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 -0.7939 -0.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -0.7886 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -2.1432 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 1.5316 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 1.6386 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 17 21 1 0 17 22 1 0 17 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0972 0.2852 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 1.1356 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.5404 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -1.4341 0.4169 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.0552 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.3219 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 -0.1822 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -0.9182 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.3189 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.1624 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 1.7135 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.4588 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -1.2162 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -0.7305 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -0.6301 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -1.9555 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.1043 1.6214 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 -0.3684 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 -1.6610 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2429 0.4345 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 0.4819 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.3837 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 2.2713 -0.9064 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.1147 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 1.1372 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -1.1428 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.1158 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2690 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 1.3360 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2585 2.0902 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -1.0308 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.0747 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -1.1273 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 0.0130 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.0981 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 0.6393 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.0995 0.9092 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.9720 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -1.9039 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 0.8518 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.8892 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3688 -0.1830 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.2346 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.4502 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.1325 0.2240 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.1121 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -1.0348 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.8064 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 1.3636 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.9135 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -0.6300 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -2.0529 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -0.2013 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.7739 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 1.5808 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 1.6300 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.0495 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.8637 -0.0796 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 0.3572 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.7940 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 2.4700 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.3776 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 0.3967 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2429 0.4345 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 0.4819 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.3837 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 2.2713 -0.9064 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.1147 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 1.1372 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -1.1428 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.1158 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2690 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 1.3360 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2585 2.0902 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -1.0308 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.0747 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -1.1273 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 0.0130 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.0981 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 0.6393 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.0995 0.9092 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.9720 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -1.9039 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 0.8518 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.8892 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3688 -0.1830 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.2346 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.4502 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.1325 0.2240 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.1121 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -1.0348 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.8064 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 1.3636 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.9135 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -0.6300 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -2.0529 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -0.2013 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.7739 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 1.5808 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 1.6300 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.0495 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.8637 -0.0796 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 0.3572 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.7940 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 2.4700 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.3776 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 0.3967 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4545 -0.0008 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.9013 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 0.0415 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 -1.7224 -0.5297 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 -0.0428 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 1.0671 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -0.0101 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 -1.0565 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 0.0431 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 1.1757 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 2.0605 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 0.8756 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 -0.9064 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -2.0574 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -1.1469 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 0.0020 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 1.7076 -1.2287 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 -0.0229 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 -0.9081 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 1.8103 1.9982 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 2.7040 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 1.8699 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 2.9104 -0.9024 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 0.6481 -0.0259 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3687 -0.4409 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 0.1752 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 0.8163 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 -1.8694 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 -0.3802 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -0.2486 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.1233 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 1.1283 0.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 0.0630 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -2.0939 -0.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7645 -2.8169 -0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -2.0527 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -0.7283 -0.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 -1.6387 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 0.5736 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.9591 -2.5708 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -3.1261 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -2.7417 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 1.4743 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.4627 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 2.4915 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 1.0773 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 1.5467 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 -0.1795 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 1.4415 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1087 0.0181 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 6 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 12 1 0 18 12 1 0 12 19 1 0 13 20 1 0 15 21 1 0 15 22 1 6 16 23 1 0 20 18 1 0 24 20 1 0 20 25 1 0 24 26 1 0 24 27 1 0 24 28 1 0 25 29 1 0 25 30 1 0 25 31 1 0 M END $$$$ RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 2.4910 1.3804 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.8880 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 2.3392 -0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.6951 -2.7636 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 0.5267 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 0.4545 1.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 0.9747 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -0.4856 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.3550 0.8337 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8507 -1.2568 2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 0.4844 0.8763 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1044 -0.9512 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -1.6613 1.9913 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1064 -0.7101 2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -2.1250 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -0.5012 1.2736 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6182 0.9900 -0.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 1.3160 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 -2.0112 3.9364 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -2.5816 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 -0.9474 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -0.0229 1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 0.1456 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 0.9645 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 -0.4095 -2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7966 0.3473 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 1.3778 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 1.8116 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 0.3947 -2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.0710 -2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -1.0010 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 10 9 1 0 9 11 1 0 9 12 1 6 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 1 13 19 1 0 16 13 1 0 13 20 1 6 21 16 1 0 16 22 1 1 17 23 1 0 23 21 1 0 24 23 1 0 23 25 1 0 24 26 1 0 24 27 1 0 24 28 1 0 25 29 1 0 25 30 1 0 25 31 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0972 0.2852 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 1.1356 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.5404 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -1.4341 0.4169 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.0552 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.3219 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 -0.1822 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -0.9182 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.3189 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.1624 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 1.7135 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.4588 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -1.2162 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -0.7305 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -0.6301 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -1.9555 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.1043 1.6214 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 -0.3684 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 -1.6610 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2429 0.4345 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 0.4819 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.3837 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 2.2713 -0.9064 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.1147 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 1.1372 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -1.1428 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.1158 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.2690 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 1.3360 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2585 2.0902 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -1.0308 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.0747 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -1.1273 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 0.0130 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -1.0981 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 0.6393 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.0995 0.9092 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.9720 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -1.9039 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 0.8518 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.8892 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3688 -0.1830 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 0.2346 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.4502 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.1325 0.2240 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.1121 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -1.0348 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.8064 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 1.3636 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.9135 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -0.6300 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -2.0529 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -0.2013 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.7739 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 1.5808 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 1.6300 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.0495 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.8637 -0.0796 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 0.3572 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.7940 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 2.4700 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.3776 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 0.3967 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 22 26 0 0 0 0 0 0 0 0999 V2000 -2.8079 0.3772 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 1.4378 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.1720 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 -0.2673 1.5736 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 0.1546 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 0.5277 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 -1.1894 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3593 0.8065 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.8089 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 1.1807 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 0.9590 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -0.5403 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -2.1610 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6361 1.4663 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -0.1613 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 -1.4644 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.1511 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -0.9759 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -0.4084 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 0.6586 1.4490 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -1.4785 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -0.0920 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 19 15 1 0 19 20 1 0 19 21 1 0 19 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4545 -0.0008 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.9013 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 0.0415 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 -1.7224 -0.5297 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 -0.0428 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 1.0671 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -0.0101 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 -1.0565 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 0.0431 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 1.1757 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 2.0605 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 0.8756 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 -0.9064 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -2.0574 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -1.1469 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 0.0020 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 1.7076 -1.2287 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 -0.0229 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 -0.9081 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.5211 0.3341 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -0.4530 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 0.2984 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 2.2173 0.9541 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 0.0619 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 0.1276 1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.0285 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -1.3019 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 0.0942 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -0.7308 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 1.0448 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 1.0167 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 2.0734 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -1.2619 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -2.1402 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -1.3714 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 0.6153 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -1.2846 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 -2.1001 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -0.5238 1.6853 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 1.6617 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.5941 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 14 1 0 14 18 1 0 14 19 1 0 17 20 1 0 17 21 1 0 17 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.3533 1.0681 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 0.7468 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 0.7469 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 3.2045 -0.5948 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 0.3741 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 0.6834 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.1617 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.6212 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 -0.3023 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 0.4277 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 1.7225 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -1.6216 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 -1.6435 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.4192 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 0.1594 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 1.6772 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.0588 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 -0.4727 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -2.3483 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.1007 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 0.9994 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -0.6451 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 1.3207 -0.5784 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.8907 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -1.2049 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.8726 0.0861 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 0.0027 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 -0.7995 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 1.8079 -1.0229 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 0.0711 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 -1.2472 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 0.0853 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 1.2343 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -1.3450 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -2.1148 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -1.3127 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -0.0129 -1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 1.0022 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 -0.7468 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 1.1361 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 1.2333 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 2.2047 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -0.0989 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 -2.2587 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -1.4566 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -0.8914 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 0.8601 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 1.0888 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 2.0627 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 -0.2811 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 1.3059 -0.5702 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -0.4067 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -1.2089 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 25 18 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.3023 -1.1039 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 -2.1711 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 -0.8270 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -0.8398 -2.4846 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.2834 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 -0.6821 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -0.7670 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 1.2449 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 -0.2695 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.1037 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -1.7485 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 -0.2849 1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -1.8521 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 1.9567 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.6186 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 1.5043 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 -1.0731 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 1.2615 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 1.9668 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 3.0087 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 -0.7939 -0.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -0.7886 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -2.1432 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 1.5316 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 1.6386 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 17 21 1 0 17 22 1 0 17 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.8909 -0.2175 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -0.1599 -0.4297 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -1.9105 -1.0595 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 1.0200 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 -0.6654 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -0.9441 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 -0.2014 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 1.5324 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 1.7628 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -0.0699 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -1.7295 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -2.0382 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4989 -0.6036 2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -0.1342 0.8303 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 0.7794 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 -1.9202 1.0213 I 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 0.9020 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 0.4433 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 1.7834 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 0.4548 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 0.5806 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0744 -0.1279 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 1.4635 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 12 1 0 6 13 1 0 14 7 1 0 15 14 1 0 14 16 1 0 15 17 1 0 15 18 1 0 15 19 1 0 2 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M END $$$$ RDKit 3D 30 32 0 0 0 0 0 0 0 0999 V2000 0.9294 0.7353 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.8711 -0.7252 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 2.6566 -1.6249 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3851 0.4748 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -0.0967 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 1.6223 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 -0.8902 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 -0.0067 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 1.3159 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 -1.0357 0.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 -1.6623 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -0.8650 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 0.7489 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 -0.4471 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6265 -0.5353 -0.4827 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 0.2772 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 -1.2418 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 0.6746 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 0.8974 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -1.3374 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 -1.6616 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -1.7601 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2168 0.1460 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 1.7303 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 0.1067 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 1.9891 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 0.5333 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -1.7586 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -1.9312 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2563 0.4500 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 10 15 1 0 16 2 1 0 17 16 1 0 16 18 1 0 19 16 1 0 20 17 1 0 17 21 1 0 17 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 23 19 1 0 19 26 1 0 19 27 1 0 23 20 1 0 20 28 1 0 20 29 1 0 23 30 1 0 M END $$$$ RDKit 3D 35 36 0 0 0 0 0 0 0 0999 V2000 0.8922 -0.1150 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -0.9692 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -2.9352 -0.3692 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 -0.3276 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -0.6270 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 0.9484 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.2405 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 0.4640 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -1.2789 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 -0.0772 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -1.6929 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 1.1813 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -1.3047 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 1.1204 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2836 1.8121 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 1.6674 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 -0.7004 1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7399 -1.6781 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 -2.1744 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 0.3604 0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6688 2.1371 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 0.6258 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -0.3219 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -1.4931 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 1.4667 2.1015 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 -0.2973 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 0.2441 0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 0.8061 -1.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 -1.0191 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 1.0768 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 0.6147 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 -0.5359 1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 1.1642 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 0.4266 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 1.6725 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 12 1 0 13 7 1 0 12 14 1 0 12 15 1 0 12 16 1 0 17 13 1 0 13 18 1 0 13 19 1 0 14 20 1 0 14 21 1 0 14 22 1 0 20 17 1 0 17 23 1 0 17 24 1 0 20 25 1 0 26 2 1 0 27 26 1 0 26 28 1 0 26 29 1 0 27 30 1 0 27 31 1 0 27 32 1 0 28 33 1 0 28 34 1 0 28 35 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.0263 0.5067 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.0552 0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 -1.2299 2.1114 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -0.6333 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.0192 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2059 1.2396 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 0.1847 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 -0.7763 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2072 -1.6186 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 2.1025 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 0.7298 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 0.8692 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 -0.5104 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -0.0437 -0.3307 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 0.8376 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 1.9171 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0802 -1.5923 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -0.0814 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6262 -1.4771 -1.6231 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -0.3103 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 0.4967 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -1.2187 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -0.4663 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 12 1 0 13 7 1 0 12 14 1 0 12 15 1 0 12 16 1 0 14 13 1 0 13 17 1 0 13 18 1 0 14 19 1 0 20 2 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.2655 -0.3538 0.7660 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2756 -0.4468 -0.3148 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5132 -2.0601 -0.0920 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -1.4122 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 0.9206 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -0.4398 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 -0.8342 -0.5035 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5034 -2.4133 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 -1.5151 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5876 0.6884 -0.4116 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1482 0.9940 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 1.8580 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -1.0867 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.1735 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 1.2301 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 1.0648 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 0.1767 -0.7826 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 -1.9366 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4897 -1.2989 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 1.3791 0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.1891 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 0.3654 -0.4370 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 0.7734 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 0.6515 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 1.0788 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4595 1.6013 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 6 15 10 1 0 10 16 1 6 13 17 1 0 13 18 1 0 13 19 1 0 17 15 1 0 15 20 1 0 15 21 1 0 17 22 1 0 23 2 1 0 23 24 1 0 23 25 1 0 23 26 1 0 M END $$$$ RDKit 3D 37 40 0 0 0 0 0 0 0 0999 V2000 2.4983 -0.6643 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.1072 -0.6957 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9822 -3.0266 -1.2338 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -0.4352 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -1.3731 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 0.2853 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2199 0.7346 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 0.4006 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -1.3605 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 1.0048 -0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 0.4357 -2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 1.5207 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 1.0837 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.1850 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 2.9271 -0.0078 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 -0.8086 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2598 0.6171 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 -1.0480 -1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -1.2582 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 -0.3119 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 1.1567 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 1.3026 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 -0.5091 -2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1963 -2.0787 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 -0.9085 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 -2.3157 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9812 0.0872 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 1.0077 -0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -0.4362 1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9495 1.3851 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0466 1.4407 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 -0.0661 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3386 -1.1530 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6863 0.8431 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 2.0952 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7007 -0.4830 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9665 1.2008 0.4892 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 10 15 1 0 16 2 1 0 17 16 1 0 16 18 1 0 16 19 1 0 20 17 1 0 17 21 1 0 17 22 1 0 18 20 1 0 18 23 1 0 18 24 1 0 19 20 1 0 19 25 1 0 19 26 1 0 27 20 1 0 28 27 2 0 27 29 1 0 30 28 1 0 28 31 1 0 29 32 2 0 29 33 1 0 34 30 2 0 30 35 1 0 32 34 1 0 32 36 1 0 37 34 1 0 M END $$$$ RDKit 3D 38 41 0 0 0 0 0 0 0 0999 V2000 4.3829 1.1890 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.0134 -0.6558 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8068 -0.5347 -0.0713 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 0.1822 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 2.4857 -0.1077 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.6072 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 -1.1968 -0.1868 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 2.7442 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -0.5341 0.3932 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 1.8670 0.4697 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 -1.5915 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 3.7932 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 -0.5730 0.7060 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8850 -2.6221 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 -1.8908 1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9047 -0.2937 -0.5133 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1911 0.1320 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -2.3083 0.5697 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1237 -1.1164 -0.2244 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3748 1.0504 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -0.5852 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 -3.5084 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -2.5727 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -0.2392 0.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 -1.3827 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 1.0747 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 -5.2769 0.8018 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 -3.7176 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 -3.3060 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 1.4845 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 2.0526 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 1.4709 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 2.4826 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 0.7931 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 1.7508 1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 2.0873 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 3.0607 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 1.9288 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 2 0 1 5 1 0 6 4 1 0 7 4 1 0 5 8 2 0 6 9 1 0 10 6 2 0 11 7 2 0 8 10 1 0 8 12 1 0 13 9 1 0 9 11 1 0 11 14 1 0 15 13 1 0 13 16 1 0 13 17 1 1 18 15 1 0 16 19 1 0 16 20 1 0 16 21 1 6 18 22 1 0 19 18 1 0 18 23 1 1 24 19 1 0 19 25 1 6 20 26 1 0 22 27 1 0 22 28 1 0 22 29 1 0 26 24 1 0 30 26 1 0 26 31 1 0 30 32 1 0 30 33 1 0 30 34 1 0 31 35 1 0 31 36 1 0 31 37 1 0 2 38 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.5748 -0.3156 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 -0.3065 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -2.0914 -1.8046 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 0.9032 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -0.8808 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -0.9508 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -0.3078 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 1.5100 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 1.5705 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -0.3922 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -1.9667 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 -2.0438 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -0.5280 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -0.3106 2.1701 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 0.9456 -1.1629 S 0 0 0 0 0 6 0 0 0 0 0 0 2.7359 0.5860 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.7965 -2.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 2.1969 -0.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 1.3703 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.3798 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 0.5951 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 6 1 0 6 12 1 0 6 13 1 0 7 14 1 0 15 2 1 0 16 15 1 0 15 17 2 0 15 18 2 0 16 19 1 0 16 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 18 22 0 0 0 0 0 0 0 0999 V2000 0.9276 0.1456 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 0.3382 0.4651 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 -0.4697 -0.8137 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 0.6354 -1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -1.1781 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 0.7559 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 -0.7029 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.2228 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 1.1255 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 -0.5732 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -2.1605 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 1.3511 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -0.1058 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -1.3001 -2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 2.2082 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -1.0588 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 -0.3195 -0.5820 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 0.0859 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 10 5 1 0 5 11 1 0 8 6 1 0 6 10 1 0 6 12 1 0 13 7 1 0 7 14 1 0 8 13 1 0 8 15 1 0 10 13 1 0 10 16 1 0 13 17 1 0 2 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.4659 0.3131 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.9958 0.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 1.0819 -1.1450 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 0.2011 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 0.6399 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -1.1645 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -0.5694 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 -0.3879 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 1.1222 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 0.4545 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 1.6025 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -1.8803 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -1.5428 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -1.5538 -0.3671 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 0.6877 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 12 1 0 6 13 1 0 7 14 1 0 2 15 1 0 M END $$$$ RDKit 3D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.2312 -0.3402 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -1.1815 0.2374 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -3.1671 0.2663 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 0.9914 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -0.6398 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 0.3780 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 0.8523 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 0.9398 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 1.8348 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -0.8411 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 -1.3490 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -0.2453 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0315 1.1437 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 2.1584 -0.3164 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -0.7138 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 0.6000 -0.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.5650 0.2094 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 1.0483 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 -1.0749 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.2437 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 2.1123 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -1.8053 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 0.6203 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 12 1 0 6 13 1 0 7 14 1 0 2 15 1 0 15 16 2 0 17 15 1 0 16 18 1 0 19 17 2 0 18 20 2 0 18 21 1 0 20 19 1 0 19 22 1 0 20 23 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.6729 -0.2015 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 -0.3959 -0.3714 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -1.8497 0.6783 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 1.1490 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 0.4364 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -1.2212 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 0.9067 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 1.1366 -1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8228 2.0261 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -0.2529 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9652 1.2267 1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -0.3876 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 -2.1453 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -1.4658 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 2.6182 1.0798 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -0.2256 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 -0.8609 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 -0.4933 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 12 1 0 12 16 1 0 12 17 1 0 2 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.8516 0.0420 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.0077 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 0.4722 0.3820 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -0.3077 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5562 -1.0124 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 1.4294 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -0.1499 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -1.3243 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.4000 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 -1.1275 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -1.9844 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -0.7135 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 1.2888 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 1.6914 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 2.2249 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2682 -0.5012 -1.0735 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -0.8673 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -2.1625 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 2.0378 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 1.4555 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 -0.8991 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 10 1 0 13 7 1 0 10 17 1 0 10 18 1 0 13 19 1 0 13 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.0549 -0.0389 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 -0.1964 -0.4174 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 1.4126 -0.4720 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4578 -1.4757 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 0.6119 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 0.7344 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 -1.4471 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 -1.9961 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -2.0763 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 0.6475 1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1178 1.6391 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 0.0577 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 0.7759 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 1.7650 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 0.2641 -2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 0.0045 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 -2.0362 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 -1.9466 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 0.1279 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 1.6883 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 0.3541 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 1.8220 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 0.0511 0.6675 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 -0.7430 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 16 7 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 16 1 0 13 21 1 0 13 22 1 0 16 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.9281 -0.0384 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 0.0996 -0.2005 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -0.3076 1.4029 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 1.1157 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 0.6680 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 -1.4278 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 1.0128 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8822 1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 2.0702 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 0.0306 -2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 1.5430 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -1.4871 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -2.2062 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 -1.6535 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9612 3.0642 -0.5406 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.1390 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 -2.2742 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -1.7794 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 -0.1161 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -0.0413 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 0.9844 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 16 12 1 0 12 17 1 0 12 18 1 0 16 19 1 0 16 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6763 -0.0079 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 0.2653 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 1.5698 -0.7576 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 1.0674 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 -1.0250 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -0.2750 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 -0.0921 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 1.7303 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 1.6830 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.0215 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 -1.1382 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 -0.4309 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 0.0524 0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 0.2470 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 0.0413 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -1.5060 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 0.9052 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 -0.8530 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -0.9383 0.0165 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 1.3017 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 -0.5755 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 12 7 1 0 7 13 1 0 14 12 1 0 12 15 1 0 12 16 1 0 13 14 1 0 13 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0600 -0.0413 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 -0.3969 -0.8949 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -0.5904 -0.6105 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 -0.0024 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 0.9363 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -0.7782 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 0.3377 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1995 0.9093 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -1.1561 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3507 0.0589 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 1.3606 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.3658 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 1.9863 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 0.7426 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -1.5226 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -2.0103 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 0.1900 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -1.1550 0.5462 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 1.2155 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 -0.0208 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 0.3025 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 10 1 0 9 15 1 0 9 16 1 0 17 10 1 0 17 18 1 0 17 19 1 0 17 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.0381 0.2876 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.6228 -0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 0.8825 1.1921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 1.0994 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -0.9854 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 0.0883 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.1773 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 2.0750 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.1783 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -1.1185 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -1.9345 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.9682 -1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 -0.7665 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 -0.6362 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 0.7951 -0.5186 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -0.7779 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 -1.6052 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 0.0045 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 12 1 0 6 13 1 0 14 7 1 0 14 15 1 0 14 16 1 0 14 17 1 0 2 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5530 -0.4563 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 0.8122 0.1071 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 0.6045 0.2428 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.1986 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -1.0938 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -0.9988 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 0.5983 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 0.4921 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -1.2611 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 0.0820 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 1.6814 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 0.1986 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.0076 2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.5644 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 -1.9366 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -1.8470 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 0.3807 0.0292 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 1.3855 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 10 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 2 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.9263 -0.6772 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -0.6859 -0.3041 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -1.3663 0.3054 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 -0.0728 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 -1.7009 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -0.0953 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -0.2052 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 -0.7778 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 1.4041 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 0.1499 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 -1.2055 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 0.5222 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -1.8588 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 -0.5813 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 1.5757 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.0600 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 1.6000 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 -0.0046 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 1.8500 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 2.3317 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5224 -1.9640 -0.1818 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 0.7104 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 0.2379 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 -1.2465 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 15 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 15 1 0 15 19 1 0 15 20 1 0 18 21 1 0 18 22 1 0 18 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 2.2340 0.2994 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 -0.8693 0.5157 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -0.5106 1.0691 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 -0.0466 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 1.1013 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 0.6905 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.1250 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -1.0982 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 -0.4755 -1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 0.2968 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 1.5101 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 1.9543 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 -0.8615 0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 -2.1230 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -0.9294 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -0.2345 -1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 -1.5220 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 0.1457 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 1.1067 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 -0.5759 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 -1.7675 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.5084 -2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 -1.1562 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 -0.0180 -0.9129 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 1.5228 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 1.9637 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -1.2475 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 13 1 0 16 10 1 0 13 20 1 0 13 21 1 0 16 22 1 0 16 23 1 0 19 24 1 0 19 25 1 0 19 26 1 0 2 27 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.5350 -0.4201 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -0.6437 -0.9342 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -1.0797 -0.6748 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -0.1681 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9651 0.4392 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -1.2961 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 1.1008 -0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 0.0263 1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 -1.3599 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 1.3504 -0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 1.9747 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 1.0099 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 0.2548 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 0.8791 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 -0.8513 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -1.1108 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 -2.2810 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.5386 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 0.2451 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0296 1.3989 -1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 2.3361 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 -0.5247 1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 1.2097 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -1.1348 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -1.9437 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 0.5687 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 -0.7931 0.5463 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 0.6081 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 1.5704 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 0.1736 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 19 1 0 16 24 1 0 16 25 1 0 26 19 1 0 26 27 1 0 26 28 1 0 26 29 1 0 2 30 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.1196 -0.0675 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 -0.0647 -0.6054 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 1.1308 0.3041 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 1.2060 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 -0.7487 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 -0.5921 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 0.1323 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 1.9780 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 1.6894 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -1.8347 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -0.4893 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 -0.3956 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -1.6458 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -0.0059 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 0.5450 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -1.3412 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 0.3377 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 -1.1538 -0.9229 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 1.2443 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 1.0726 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.9967 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 15 7 1 0 7 12 1 0 12 16 1 0 12 17 1 0 15 18 1 0 15 19 1 0 15 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3711 -0.4416 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 -0.5002 -0.3257 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 -2.3355 0.2692 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -0.0556 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.3613 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 0.3360 -1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 0.4731 -1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 1.3216 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 -1.0687 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 0.9992 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 1.2343 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -0.2850 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 2.1939 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 1.3634 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -0.2691 1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.2890 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -2.0052 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8825 2.6543 0.6552 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 -0.7857 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.0739 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -0.1050 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 15 10 1 0 15 19 1 0 15 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.2552 -0.1905 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5861 -0.7461 -0.2584 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 0.5261 -0.2077 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 -1.2786 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 0.7375 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 0.4703 1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -0.2892 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 -2.0055 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 -1.8171 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 0.6797 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 1.7630 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 0.3633 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5608 0.4146 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 1.5003 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 -0.0978 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -0.9713 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 1.6748 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 0.2911 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 -0.1667 2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 1.4181 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 0.3823 0.4116 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -1.7100 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -1.5299 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 -1.2927 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 16 7 1 0 7 10 1 0 13 7 1 0 10 17 1 0 10 18 1 0 13 19 1 0 13 20 1 0 16 21 1 0 16 22 1 0 16 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.8750 0.6124 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -0.4917 0.8231 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -0.0033 1.3623 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 0.2368 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 0.9421 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 1.4667 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4192 -0.2614 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 1.4530 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2263 -0.9015 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -0.4088 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 0.4758 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 -1.2098 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 1.0090 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 2.3490 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 1.6954 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2253 -1.3450 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 -1.7491 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.5624 -2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -1.0932 1.2972 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 1.0223 -1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 1.6964 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 -2.3996 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.2527 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6554 -1.2806 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 19 1 0 13 10 1 0 10 16 1 0 13 20 1 0 13 21 1 0 16 22 1 0 16 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -1.4065 0.3195 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 0.5216 -0.4591 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 2.3291 -0.1917 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 -1.1680 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 0.5314 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 1.1812 -1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 -1.5161 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -1.3822 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 -1.8368 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 0.2065 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 1.5652 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -0.1028 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 0.8455 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 2.2515 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 1.0217 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -0.2806 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -1.9097 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 -2.3283 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 -0.5565 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 1.0991 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 0.5632 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 1.7486 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -0.5947 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 -1.3006 -1.3024 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1454 0.3049 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -1.3488 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 -0.1640 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 16 7 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 16 1 0 13 21 1 0 13 22 1 0 23 16 1 0 23 24 1 0 23 25 1 0 23 26 1 0 2 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.0825 0.4810 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 1.1772 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 1.7485 -0.0014 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.1313 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 -0.4449 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 1.1095 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 -0.8330 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 1.3967 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 -0.5675 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 -1.2074 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -1.7446 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 -0.3774 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 1.0305 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 1.9296 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 2.0992 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5088 -0.9184 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 0.0793 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 -1.4828 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -0.4904 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 -0.9435 2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -2.2969 1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 1.3758 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 1.5789 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -1.9971 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -0.4246 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 -0.9962 0.6130 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 0.5874 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 19 13 1 0 13 22 1 0 13 23 1 0 19 16 1 0 16 24 1 0 16 25 1 0 19 26 1 0 2 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.2969 -0.1549 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -1.5935 -0.4956 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 -2.0762 -1.0727 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8242 0.1743 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.3587 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 0.2454 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 -0.4656 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -0.5940 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 1.6988 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -0.3939 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 0.1169 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.4883 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 -0.1291 -2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.6414 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 2.0866 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 2.2589 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5988 1.9978 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 -1.5319 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 1.0094 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 2.2366 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 3.0501 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -1.5957 2.2761 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 -1.4204 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -2.4980 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 1.1367 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 1.1532 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 -1.9404 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 15 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 19 1 0 19 15 1 0 15 20 1 0 15 21 1 0 18 22 1 0 18 23 1 0 18 24 1 0 19 25 1 0 19 26 1 0 2 27 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.0782 -0.4843 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 -1.5082 -0.4371 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -2.0176 1.0531 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 -0.9901 0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -0.5911 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5723 0.9502 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 -0.1714 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -0.6584 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -2.0733 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 0.0930 -2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.5992 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4415 1.8033 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 1.3494 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 1.0260 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 -0.7212 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 1.3662 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 1.6988 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 2.8660 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -0.7049 1.5761 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 -1.7550 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -0.1388 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 1.7268 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.8515 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 -1.3176 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 15 7 1 0 7 16 1 0 16 12 1 0 12 17 1 0 12 18 1 0 15 19 1 0 15 20 1 0 15 21 1 0 16 22 1 0 16 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.9852 -0.2853 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.4362 -0.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 0.3794 -0.1245 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -0.1056 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 0.0815 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 -1.3522 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 -0.7895 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 -1.1210 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 1.3328 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 -0.9797 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -1.7205 -1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -0.1633 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -0.7944 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -2.1202 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 1.5255 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 2.0736 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 1.5353 1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -2.9491 -0.7300 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 0.2607 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 2.3736 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 1.7941 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 0.2325 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9947 0.2960 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 0.0596 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 19 10 1 0 15 19 1 0 15 20 1 0 15 21 1 0 19 22 1 0 19 23 1 0 2 24 1 0 M END $$$$ RDKit 3D 21 25 0 0 0 0 0 0 0 0999 V2000 1.4132 0.1580 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 0.4073 -0.6006 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 -1.2047 -0.7114 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5087 -0.6017 -1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 1.3260 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -0.4694 0.8417 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5097 0.5495 -1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 -1.2534 -0.0766 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7885 -1.1285 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 0.6815 0.9188 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7075 2.3741 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 -0.8896 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -0.0981 0.0023 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0302 0.9743 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -2.3076 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4618 1.2136 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6245 -0.3680 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 1.4641 0.2804 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 -1.0058 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -0.9061 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1954 1.0847 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 10 5 1 0 5 11 1 0 8 6 1 0 6 10 1 0 6 12 1 1 13 7 1 0 7 14 1 0 8 13 1 0 8 15 1 6 10 13 1 0 10 16 1 1 13 17 1 1 17 18 1 0 17 19 1 0 17 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 25 0 0 0 0 0 0 0 0999 V2000 1.7385 -0.3854 -0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7923 -0.0979 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6344 -0.4923 -0.6680 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 -0.1462 -0.3477 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7972 -1.4303 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 0.2489 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1459 1.1938 0.1952 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1831 -0.8662 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9418 -0.3696 -1.0822 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7136 0.4700 1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 0.9617 -0.5388 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3938 2.1318 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.0830 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 -1.6132 1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.7115 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 0.2464 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 0.8122 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 1.7078 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 -2.0189 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 0.5623 1.5153 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 0.8796 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 6 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 7 10 1 0 11 7 1 0 7 12 1 1 10 8 1 0 8 13 1 0 8 14 1 0 9 11 1 0 13 9 1 0 9 15 1 6 10 16 1 0 10 17 1 0 16 11 1 0 11 18 1 6 16 13 1 0 13 19 1 0 16 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 23 0 0 0 0 0 0 0 0999 V2000 2.7870 -0.0476 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 0.3318 -0.1941 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 2.1646 0.2686 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 0.6423 -0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -1.3953 -0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -0.3002 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -1.5433 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 0.0031 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 -2.5484 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 1.3848 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -0.5132 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -0.2567 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 0.4118 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 2.1107 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 1.8939 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 -0.1946 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 -1.5841 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -1.3016 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 0.3044 -1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 0.8481 0.3412 I 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -0.4107 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 5 1 1 0 4 6 1 0 7 5 1 0 6 8 1 0 6 7 2 0 7 9 1 0 8 10 1 0 11 8 1 0 12 8 1 0 10 13 1 0 10 14 1 0 10 15 1 0 13 11 1 0 11 16 1 0 11 17 1 0 13 12 1 0 12 18 1 0 12 19 1 0 13 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 21 23 0 0 0 0 0 0 0 0999 V2000 2.8543 -0.1607 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 0.5345 0.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -0.0162 -0.3039 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 0.4443 0.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7411 -1.8604 -0.1789 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6556 -0.4445 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -1.7456 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -0.0040 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 -2.6119 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9027 -0.4784 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -0.0933 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 1.4219 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 0.5783 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 -0.2362 1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -1.5186 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 0.5129 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -1.0944 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 1.8547 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 2.1801 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 1.2065 0.0302 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 1.5311 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 5 1 1 0 4 6 1 0 7 5 1 0 6 8 1 0 6 7 2 0 7 9 1 0 8 10 1 0 11 8 1 0 12 8 1 0 10 13 1 0 10 14 1 0 10 15 1 0 13 11 1 0 11 16 1 0 11 17 1 0 13 12 1 0 12 18 1 0 12 19 1 0 13 20 1 0 2 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.1247 -0.1445 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 0.7125 0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 2.5322 -0.4040 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 -0.3379 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 0.5642 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 -1.0974 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 -0.0744 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 -1.3383 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 0.3861 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 0.2386 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 1.6573 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -1.2530 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 0.7079 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 -0.3478 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -2.1153 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -1.6090 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1143 1.7349 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 0.7036 -2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 0.7712 1.9022 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -0.6776 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 -0.0866 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -0.9984 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -0.3843 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4173 0.4561 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 12 1 0 13 7 1 0 12 14 1 0 12 15 1 0 12 16 1 0 14 13 1 0 13 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 21 2 1 0 21 22 1 0 21 23 1 0 21 24 1 0 M END $$$$ RDKit 3D 34 36 0 0 0 0 0 0 0 0999 V2000 -1.3424 -1.2781 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 -0.5121 -0.9002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -0.2394 -2.8642 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.4093 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.6687 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 -2.1821 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 0.9043 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -0.8096 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 0.3513 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 0.6887 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5909 0.8069 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 1.7901 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -1.0786 -0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 -1.5461 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 1.1826 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 -0.2671 2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4082 1.8620 1.3526 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -0.9952 -0.0537 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6594 -1.1801 1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -0.0559 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -1.9798 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -0.2530 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0917 -1.9594 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -1.4807 2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 1.3137 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 -0.5631 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 2.1529 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 1.7323 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 0.2790 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -1.6183 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 1.6353 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 3.2110 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6184 -0.1234 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 2.2899 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 10 1 0 9 15 1 0 9 16 1 0 10 17 1 0 2 18 1 0 18 19 1 0 18 20 1 0 18 21 1 6 19 22 1 0 19 23 1 0 19 24 1 0 20 25 2 0 26 20 1 0 25 27 1 0 25 28 1 0 29 26 2 0 26 30 1 0 27 31 2 0 27 32 1 0 31 29 1 0 29 33 1 0 31 34 1 0 M END $$$$ RDKit 3D 31 33 0 0 0 0 0 0 0 0999 V2000 -1.1537 1.0570 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 0.3209 0.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -1.2506 2.0456 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 2.1528 2.5296 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 0.2667 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 1.8516 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 -0.8034 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 0.9051 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5901 -0.6620 -0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9983 -0.6097 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 -0.4658 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 -1.7974 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 1.4082 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 1.5209 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 -1.6337 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 -0.1920 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -1.2037 -0.7285 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 0.0689 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -0.0132 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2726 -0.8328 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 0.8874 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.1284 -1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 1.0389 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 -1.1935 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 -1.9576 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 0.9710 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 1.9131 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 -0.1447 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 -2.0642 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 1.7879 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1075 -0.1979 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 5 7 1 0 8 5 1 0 9 5 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 10 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 2 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 19 22 2 0 23 19 1 0 22 24 1 0 22 25 1 0 26 23 2 0 23 27 1 0 24 28 2 0 24 29 1 0 28 26 1 0 26 30 1 0 28 31 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.5748 -0.3156 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 -0.3065 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -2.0914 -1.8046 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 0.9032 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -0.8808 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -0.9508 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -0.3078 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 1.5100 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 1.5705 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -0.3922 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -1.9667 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 -2.0438 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -0.5280 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -0.3106 2.1701 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 0.9456 -1.1629 S 0 0 0 0 0 6 0 0 0 0 0 0 2.7359 0.5860 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.7965 -2.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 2.1969 -0.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 1.3703 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.3798 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 0.5951 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 6 1 0 6 12 1 0 6 13 1 0 7 14 1 0 15 2 1 0 16 15 1 0 15 17 2 0 15 18 2 0 16 19 1 0 16 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.2312 -0.3402 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -1.1815 0.2374 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -3.1671 0.2663 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 0.9914 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -0.6398 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 0.3780 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 0.8523 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 0.9398 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 1.8348 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -0.8411 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 -1.3490 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -0.2453 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0315 1.1437 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 2.1584 -0.3164 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -0.7138 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 0.6000 -0.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.5650 0.2094 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 1.0483 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 -1.0749 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.2437 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 2.1123 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -1.8053 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 0.6203 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 12 1 0 6 13 1 0 7 14 1 0 2 15 1 0 15 16 2 0 17 15 1 0 16 18 1 0 19 17 2 0 18 20 2 0 18 21 1 0 20 19 1 0 19 22 1 0 20 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.2716 -0.4977 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 -0.0058 -1.2866 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 1.8343 -1.9910 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 -0.2008 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 -1.5850 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 -0.1276 -2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 -0.5977 1.2926 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 1.2392 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -0.6695 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 -2.5752 1.7246 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -0.0045 1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 0.7471 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 2.0771 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 1.5234 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 -0.9039 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 -1.4707 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 -0.3321 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.3095 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 1.0855 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 1.1455 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4154 0.8727 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 0.1595 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -1.4043 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 9 12 1 0 9 15 1 0 9 16 1 0 17 11 1 0 11 18 1 0 11 19 1 0 12 20 1 0 12 21 1 0 2 17 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.4545 0.2331 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 0.7453 0.9983 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 2.7530 1.1188 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 0.2191 -1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 0.8460 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -1.0924 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 -0.4565 -1.3207 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.2121 -2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 1.2527 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.2433 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2888 0.7504 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 1.8709 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 -1.7111 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -1.7493 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 -2.4316 -1.6071 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 0.0054 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4028 -0.6614 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 0.0498 1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 0.0106 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7687 1.0218 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -0.5816 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 0.4069 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 -1.0258 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 10 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 10 17 1 0 10 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5432 1.3997 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 0.2390 0.2333 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 0.3061 -0.8954 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 1.1490 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 2.2764 0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 1.6372 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 0.0254 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 2.0793 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 0.8483 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 0.3625 -1.1941 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -1.0318 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -0.5603 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 2.1914 -1.4645 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -0.5986 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.0486 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -2.0325 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.8084 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 0.1270 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 -1.5266 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 -1.5777 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 -0.2979 -0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 -1.8796 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -1.2793 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 13 1 0 14 10 1 0 11 15 1 0 11 16 1 0 11 17 1 0 12 14 1 0 12 18 1 0 12 19 1 0 14 20 1 0 14 21 1 0 15 2 1 0 15 22 1 0 15 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.4328 1.3889 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 0.5346 0.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.3711 -0.5117 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 0.6187 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 2.1030 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 2.0081 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -0.2387 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 -0.0154 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 1.3322 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -0.9553 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 -1.1625 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 0.5212 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4718 -0.6230 0.3123 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5411 -2.0282 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -0.4876 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 -0.3346 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -1.9062 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 -1.7238 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 0.6961 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 1.4790 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -0.1427 -0.0487 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 -0.9976 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 0.3051 2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 13 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 16 2 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.9309 0.2295 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 -0.5681 -1.0749 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.7746 -2.7333 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 0.3101 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -0.2067 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 1.2492 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 1.3417 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -1.0595 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 0.8285 1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 1.0048 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7423 2.3500 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 1.3698 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -1.2852 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -1.1264 1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 -1.8797 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 0.0779 1.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -0.2722 0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 0.9921 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 1.8066 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -2.3074 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -1.2482 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 0.0093 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 -0.9241 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 0.5820 2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -0.9220 1.2978 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2455 1.0228 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.6000 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 9 1 0 10 17 1 0 10 18 1 0 10 19 1 0 13 17 1 0 13 20 1 0 13 21 1 0 22 16 1 0 16 23 1 0 16 24 1 0 17 25 1 0 2 22 1 0 22 26 1 0 22 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.2810 -1.1129 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 0.1555 -0.2369 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 0.7930 -1.4854 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -0.9176 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 -1.7323 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 -1.7020 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 -0.2605 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -0.3014 -2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -1.8913 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 0.5421 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 0.6212 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -1.3460 0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 1.0302 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6679 1.3877 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 -0.1054 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 1.2056 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 1.4386 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.0333 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -0.9001 1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.1568 -1.0099 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -0.1180 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 1.8740 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 1.8217 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 -1.7918 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -0.3047 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2185 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -0.7942 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 13 20 1 0 13 21 1 0 16 2 1 0 16 22 1 0 16 23 1 0 21 19 1 0 19 24 1 0 19 25 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.1846 0.3847 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.3466 -0.2302 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 2.1442 -1.9923 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 0.9907 -1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 0.1609 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6566 -0.9794 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 0.4716 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 2.0806 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 0.8202 -2.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -0.7849 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -0.2315 1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 1.1348 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0726 -1.2251 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 -1.8422 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -1.0170 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 -0.8426 -0.1667 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 0.4486 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 1.1917 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 -1.7929 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -0.4580 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 -0.7740 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -1.7933 -0.0541 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 0.7420 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 -1.0207 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -1.3388 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 0.9375 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 1.2463 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 21 1 0 16 22 1 0 21 23 1 0 21 24 1 0 21 25 1 0 23 2 1 0 23 26 1 0 23 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.6249 -1.2939 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -0.4048 -0.0388 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 -0.9800 -0.1095 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -0.6366 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 -2.1875 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -1.6434 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 0.3794 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 -0.1304 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -1.4212 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 1.0461 -0.3585 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 1.4554 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 -0.3669 1.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 1.8696 -2.1312 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 0.4910 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 1.0033 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 1.7454 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 2.3826 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 -1.4061 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 0.3337 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5677 -0.8298 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -1.0156 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 1.0058 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5913 0.6915 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 1.1907 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 1.6453 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -1.5678 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -1.3559 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 13 1 0 14 10 1 0 11 15 1 0 11 16 1 0 11 17 1 0 12 18 1 0 12 19 1 0 12 20 1 0 21 14 1 0 14 22 1 0 14 23 1 0 15 2 1 0 15 24 1 0 15 25 1 0 18 21 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.7796 -0.5337 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 0.2456 0.6678 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.3283 1.5431 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -0.0940 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -1.6056 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -0.3224 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -1.0634 -0.4221 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 0.4687 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 0.8424 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -2.5371 0.8216 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3079 0.0603 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 0.1831 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 0.0023 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 1.5510 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 1.9116 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 0.7174 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 0.5251 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 -0.1338 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 0.9237 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 -0.8129 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 9 11 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 2 12 1 0 12 19 1 0 12 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.6563 1.2405 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 0.7382 -0.3551 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 0.7318 1.3251 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 0.0076 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 1.7561 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 1.9823 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 -0.0453 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6409 -1.2029 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 0.0687 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 0.6507 0.6407 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 0.5120 2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -1.0673 1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.5896 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.7081 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 -1.9370 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 0.7238 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 -0.9175 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 0.0905 1.1538 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -0.4508 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 -1.2346 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 10 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 2 13 1 0 13 19 1 0 13 20 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.1175 -0.1258 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 -1.2840 -0.0272 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -3.0838 -0.4364 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 0.2433 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.3343 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 1.1113 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 0.0181 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 1.2932 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -0.3493 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 0.2022 0.9983 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.0862 2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -1.3952 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 1.4167 -0.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 2.0125 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 0.9507 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 0.6536 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -1.0158 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 2.0384 1.6425 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 0.3183 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 -0.9469 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 0.5835 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 0.1695 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -0.8006 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 -1.7618 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 10 1 0 7 16 1 0 7 17 1 0 10 18 1 0 13 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4080 -0.7431 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 -0.1414 0.4128 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 0.8576 1.5751 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -0.3204 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 -0.4790 2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 -1.8300 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -1.3362 0.0832 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 -0.1217 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 1.0356 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 -2.2310 1.7956 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -0.7822 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 0.5076 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0137 -1.0899 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 0.5107 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 1.5276 -0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 0.9467 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 1.8143 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 0.5908 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 -0.6780 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 -1.4827 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 0.3317 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 1.5921 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 0.5255 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2694 0.9956 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 18 11 1 0 11 19 1 0 11 20 1 0 2 12 1 0 12 21 1 0 12 22 1 0 15 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 1.0497 1.1455 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 0.3440 0.7063 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 0.1402 -0.1565 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 0.1233 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 2.1710 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 1.1988 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 -0.3328 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 0.2768 1.4193 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 -0.8422 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8666 -0.6144 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4955 0.4588 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -1.2043 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 2.0957 1.7515 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4251 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 -1.5364 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9264 -0.3382 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 -1.6606 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0225 -0.1006 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 -0.5820 -1.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -2.5670 -1.1318 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -0.8235 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 0.2028 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 1.0521 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.5240 0.4907 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -1.4719 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 -1.3851 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 0.1364 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 -0.5870 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 1.1673 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 2.0620 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 1.0159 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 0.6160 -0.1451 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 1.1225 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 -0.3817 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 2 10 1 0 10 16 1 0 10 17 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.3152 0.4727 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 0.8050 -0.8222 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4221 2.4403 0.1368 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -0.2956 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.5314 -0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.2287 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 -1.0407 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -1.1430 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 0.4053 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 1.0355 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 1.8326 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 2.4449 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 -0.4241 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 -2.0973 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -1.0252 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -0.4351 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 -1.1846 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3021 -2.1698 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9162 2.0564 1.2235 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 -0.7521 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 -0.8607 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -1.0792 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -0.2881 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 13 7 1 0 7 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 8 18 1 0 13 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 16 2 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.9638 -0.6482 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 0.5074 -0.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 0.0972 1.4887 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.4943 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -1.2960 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -0.2667 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -0.6280 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 -2.0480 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -2.2461 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 -0.9902 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 0.8147 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.6584 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 0.3472 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -1.7401 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 -1.3821 -0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 1.3666 0.5025 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 1.3924 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 0.8478 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 0.5188 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 0.3214 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 3.2036 -0.0553 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 1.6318 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 2.3494 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.0546 1.3768 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 0.3535 -1.1683 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 0.9765 -1.4418 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9541 0.8138 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 2.2679 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 1.7060 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -0.4347 -0.1958 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 0.4307 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 1.5804 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 -0.2138 -1.3410 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -1.3817 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 -0.6047 1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.3205 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 0.0280 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -0.8826 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 -2.3589 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 -1.5322 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 -1.5333 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 -0.2494 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -1.6627 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 2 15 1 0 15 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.0672 -0.8516 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 0.5392 0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 0.7351 1.9643 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 -1.5395 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -1.4741 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -0.8445 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.5345 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5056 -2.3373 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 -2.0218 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 -0.9808 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 0.6472 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 -0.1735 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 0.2119 -0.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -1.3415 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -1.7931 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 1.3487 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 1.4235 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 0.3009 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 0.5702 0.0833 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 1.8726 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 2.0681 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 2.0695 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 2.1053 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 13 19 1 0 13 16 1 0 16 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.3287 0.7567 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 0.8098 -0.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5898 2.3540 -0.5522 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 -0.7172 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 1.4992 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 1.0602 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -0.7378 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -1.4451 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 -1.0884 1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 0.6017 0.6535 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 1.6377 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 2.4867 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -1.5271 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.9113 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9812 -0.5070 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -2.4328 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -1.5799 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 1.0839 0.1654 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 -0.6401 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -0.7032 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 10 18 1 0 2 15 1 0 15 19 1 0 15 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.4052 0.4949 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.7051 0.6048 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 -0.4884 0.5385 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0092 0.1176 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 1.5357 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 0.9032 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 1.1571 -0.6566 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -1.2941 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 0.2125 1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 2.5618 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 1.3817 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3071 2.6138 -0.4464 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -1.4577 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 -2.0194 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5174 -1.4554 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 -1.0421 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -2.5161 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 5 1 0 5 10 1 0 5 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 13 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.1729 0.0627 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 0.2761 -1.3207 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 2.1524 -1.2428 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 0.9700 -1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 -0.0519 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -0.9315 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9934 1.1007 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 0.5519 -2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 1.9765 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6368 -0.8304 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.6932 1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 0.9406 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -0.1133 0.7801 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 1.8927 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 1.4834 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 -0.6743 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.4090 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 -1.8897 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -1.7788 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -0.5533 2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 -1.4316 0.0404 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -0.4057 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 -1.6441 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 11 13 1 0 11 19 1 0 11 20 1 0 13 21 1 0 2 16 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.8345 1.2099 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 -0.0355 -0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -1.1893 0.0849 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 1.0137 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.8995 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 1.7236 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 0.2510 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7252 1.9894 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 0.4561 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 0.9541 0.0509 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -0.9988 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 -0.0529 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 2.5050 0.8767 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.0757 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 -1.3844 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -0.7213 -1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 -1.8007 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5313 0.1756 -1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 -0.2064 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 -2.0786 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 -1.8726 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -1.6608 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -0.1011 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 14 15 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 16 2 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -0.7765 0.8312 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 1.1225 0.1373 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 2.9166 -0.2882 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 -0.3521 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 0.5856 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 1.7291 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -0.9490 -0.9388 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 0.1845 1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0268 -1.3292 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 -2.8139 -0.6759 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 -0.0129 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 1.1072 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.7269 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 -0.6613 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 -1.3602 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -2.3454 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.9978 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.5049 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 0.8418 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 -0.4677 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 2.0803 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 1.3058 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 0.0148 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 -2.1164 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -1.6473 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 1.2604 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -0.3058 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5786 0.1145 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 0.0329 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 11 20 1 0 18 12 1 0 12 21 1 0 12 22 1 0 15 23 1 0 15 24 1 0 15 25 1 0 18 26 1 0 18 27 1 0 23 2 1 0 23 28 1 0 23 29 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 0.0128 -0.1356 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 -1.1726 0.6049 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -1.4979 2.5760 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -0.8782 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 0.9531 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 0.6064 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 -1.1415 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -0.2836 -2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 -1.8278 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 1.2994 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 0.6026 -1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 1.8674 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 1.2117 0.2423 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 1.3683 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -0.0708 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 0.1763 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -1.7863 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -1.6844 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 0.0600 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 1.7044 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 2.0841 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 2.6606 1.2339 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 0.5631 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -0.0653 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 -1.2400 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7878 0.0778 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5087 0.0934 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -1.4595 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 -2.0851 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 16 13 1 0 13 22 1 0 16 23 1 0 16 24 1 0 25 19 1 0 19 26 1 0 19 27 1 0 2 25 1 0 25 28 1 0 25 29 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.3677 -1.3410 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -0.8112 -0.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 -0.7876 -2.2915 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -0.1435 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 -2.1500 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -1.7988 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 -0.0991 1.3857 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 0.0166 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 1.0624 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -1.7943 2.3688 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 0.7638 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -0.4968 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 -0.5082 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 1.0720 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 0.4773 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 1.7429 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 1.6715 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 0.2408 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 1.7670 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 0.9249 2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 -1.5742 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -0.3682 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 1.1653 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0419 0.3004 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 1.0929 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 -0.4251 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 11 20 1 0 18 12 1 0 12 21 1 0 12 22 1 0 15 2 1 0 15 23 1 0 15 24 1 0 18 25 1 0 18 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.2907 -0.0887 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 0.5700 1.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -0.5082 2.9801 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 -0.8068 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 -1.0730 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 0.9706 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -0.7108 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -1.8484 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -0.2846 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -0.4125 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -1.5111 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.9206 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 0.2068 -0.9548 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 1.4358 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4447 1.7672 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -0.3703 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -1.6934 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 0.3284 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 0.2861 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 -1.1723 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 1.2643 -1.8580 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 1.2449 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 0.9227 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 -0.3994 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 2.0797 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4305 1.7236 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 18 10 1 0 10 19 1 0 10 20 1 0 13 21 1 0 22 18 1 0 18 23 1 0 18 24 1 0 2 22 1 0 22 25 1 0 22 26 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 2.1574 1.1783 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 0.0701 -0.1776 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 0.4505 -1.6189 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7539 0.9739 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 1.2563 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 2.1483 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -0.2743 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 1.8995 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 0.8614 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 0.1369 1.4085 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 -0.8959 -0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -1.3084 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 -1.3272 2.7110 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 1.0090 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0585 0.0218 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -1.8490 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3281 -1.1381 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -1.2158 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -2.3331 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 -1.1436 1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 0.4475 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 1.2423 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 1.9902 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -0.4948 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 0.9087 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -1.3822 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 -2.0274 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 1.2051 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -0.4099 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 21 15 1 0 15 24 1 0 15 25 1 0 2 18 1 0 18 26 1 0 18 27 1 0 21 28 1 0 21 29 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 0.0500 0.1162 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 -0.7119 1.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 0.0792 3.0757 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 -0.7739 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.2841 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.7221 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 -1.2571 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -0.2233 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -1.6656 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 0.9356 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 1.6592 -1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8092 2.1434 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 1.0556 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 1.6350 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 0.0190 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 -0.1537 -0.4834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 -1.8311 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 -1.9787 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -0.5593 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 1.3486 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 1.4278 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 1.5773 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 1.7561 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 0.1929 -2.1175 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.3094 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -0.9435 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5841 -0.7549 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -1.4599 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -2.3297 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 16 13 1 0 13 22 1 0 13 23 1 0 16 24 1 0 25 19 1 0 19 26 1 0 19 27 1 0 2 25 1 0 25 28 1 0 25 29 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.9224 -0.5079 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -0.1633 0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 0.9484 0.1843 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.2048 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 0.1625 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 -1.5231 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -1.3704 0.2535 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.6278 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 0.5451 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -3.0232 0.9199 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -0.9425 1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 0.6421 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 0.2314 -2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 1.6573 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 1.6352 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.3546 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 0.4077 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 -1.7008 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -0.8781 2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 1.5918 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 -0.1453 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 0.4359 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.2196 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 11 19 1 0 17 12 1 0 12 20 1 0 12 21 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.6254 0.2604 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 1.4339 0.1156 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 2.3685 1.8304 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 0.1050 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 -0.9895 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 0.6789 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 0.1904 -0.3132 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 0.9313 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -0.8177 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 -1.3584 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6226 -1.8417 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 -0.8289 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 0.1984 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 1.7555 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.5199 -0.0874 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 -0.1685 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 -2.1970 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -1.6951 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 1.0725 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 -0.4240 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 0.0389 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 0.8891 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 1.9177 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 19 16 1 0 16 20 1 0 16 21 1 0 2 19 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.8296 1.2404 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 0.8091 0.7265 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 0.1154 2.2790 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 0.4229 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 1.1538 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 2.3059 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 -0.9328 0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 1.0113 -0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 0.2277 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7286 -1.3439 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -0.8297 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 -1.7057 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0936 -0.1247 -1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 2.0332 0.9018 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -0.0155 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -0.6028 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.1406 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 -1.6242 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -2.2045 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -0.2799 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 0.0227 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 0.2664 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -1.0857 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 13 1 0 10 18 1 0 10 19 1 0 13 20 1 0 13 21 1 0 15 2 1 0 15 22 1 0 15 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.0094 -0.0918 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 0.4452 1.2852 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -0.8762 2.6134 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 -1.1165 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 -0.6288 -0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 1.0203 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.9378 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 -2.1476 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.8904 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 0.2741 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 -0.6166 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -1.6627 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 0.2669 -0.9909 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 1.5766 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 1.7310 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1674 -0.8715 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -1.8010 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 1.0950 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0482 -0.3313 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 0.9278 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 1.3024 -1.6062 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 2.1096 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9526 1.2233 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 13 21 1 0 18 2 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 1.5643 1.2776 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5968 0.3155 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 1.2058 -0.2693 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 0.5746 1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 1.9533 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 1.9085 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 -0.4589 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 1.3352 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 0.0799 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 0.2401 -1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 -1.1942 0.6048 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 -1.3933 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 0.6290 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 -0.4568 -1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 1.1120 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 -0.3034 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 -2.3041 2.2465 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -0.6114 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -2.0730 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -2.0298 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3012 1.6729 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 0.5217 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 -0.8638 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 0.2904 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 -0.0819 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 -1.3459 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 16 1 0 13 21 1 0 13 22 1 0 16 23 1 0 16 24 1 0 2 18 1 0 18 25 1 0 18 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.2496 0.1745 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -0.1790 1.3541 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 1.2726 2.6834 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -1.1333 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 0.7104 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 1.2132 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 -1.2577 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 -1.1639 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -2.0334 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -0.1508 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8576 0.6688 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 1.7574 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 1.1208 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 2.2346 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.0577 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -0.1782 -0.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -2.2250 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 -1.2684 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 -0.7579 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 0.4539 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 -0.9407 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 1.2704 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7006 1.9615 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.1406 0.2871 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 -1.8443 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -0.6226 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 16 13 1 0 13 22 1 0 13 23 1 0 16 24 1 0 19 2 1 0 19 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.7180 0.8120 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 0.0561 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 -0.6185 -0.5129 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 0.2049 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 0.5242 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 1.9002 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 0.8594 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.3312 1.2664 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -0.9577 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 0.1189 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 0.7801 -1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7847 1.9250 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -0.8007 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 1.0268 2.7360 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -1.4183 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4395 -1.7609 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -0.4600 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 0.8364 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 -1.8182 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 -0.8783 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 13 1 0 10 17 1 0 10 18 1 0 13 19 1 0 13 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.3956 -0.2199 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -1.2638 0.2947 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -2.0623 2.1672 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 -0.6980 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 1.0926 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8015 -0.2571 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 -0.3069 -1.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.7770 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -0.1940 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 0.9232 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 1.2421 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 1.9675 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -1.1606 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 0.5980 -2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 1.4154 -1.2004 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 -0.5294 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 1.6129 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 1.1389 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -0.9637 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 -0.5580 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 16 2 1 0 16 19 1 0 16 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.8532 1.1259 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.1522 0.5882 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 2.7551 -0.5735 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 0.7094 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 2.0810 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 0.3939 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 0.0828 -1.1199 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 0.0412 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 1.6101 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 -0.6754 -2.3002 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -0.8408 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -0.1609 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 -1.7001 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 -1.2289 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 -1.1020 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 -0.4832 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 -2.1651 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -0.7485 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 0.2715 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -1.1183 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 11 1 0 11 13 1 0 11 14 1 0 2 12 1 0 12 15 1 0 16 12 1 0 15 16 1 0 15 17 1 0 15 18 1 0 16 19 1 0 16 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1250 0.1329 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 1.2502 0.5241 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 2.8132 -0.6991 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 -0.7988 -0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 -0.4645 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 0.4953 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -1.3162 -0.2935 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 -1.6229 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -0.2681 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -2.8029 -1.3005 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -0.1901 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 0.7515 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -0.4055 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 0.4160 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.1874 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 1.5839 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 0.1149 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -1.3688 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 1.4842 -0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 0.0082 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 14 11 1 0 12 2 1 0 12 15 1 0 12 16 1 0 13 14 1 0 13 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.0275 1.2302 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3065 1.2481 0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 2.5895 1.0680 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 0.5975 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 2.2426 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.6731 1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.4647 -0.9159 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 0.2339 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 1.3867 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -1.6960 -1.6244 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -1.1317 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 -0.1335 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -1.5763 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -1.9618 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 -0.7297 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.0709 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -0.5310 -0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -1.7997 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -0.2351 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 0.9073 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 -0.7785 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 11 1 0 11 13 1 0 11 14 1 0 2 12 1 0 12 15 1 0 16 12 1 0 15 17 1 0 15 18 1 0 15 19 1 0 17 16 1 0 16 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0978 0.0062 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 1.2693 -0.2285 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 2.8468 0.2176 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 -1.1634 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 -0.2361 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 0.0890 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 -1.3440 0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -0.9988 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 -2.0662 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 -3.0625 -0.2099 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -0.0449 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 1.1122 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9813 -0.1268 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 0.2369 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 0.9330 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 2.0410 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 0.0147 -0.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 -1.0463 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 0.7125 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 1.2658 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 -0.4383 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 14 11 1 0 12 2 1 0 12 15 1 0 12 16 1 0 13 17 1 0 13 18 1 0 13 19 1 0 17 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.8137 -1.4085 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.1232 0.4058 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 -0.1350 0.2483 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -1.3427 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -1.6917 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -2.2031 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.3996 -0.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 -2.3488 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -1.0747 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.2007 -0.3071 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 0.8946 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 1.0053 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 1.7544 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 1.4240 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4205 1.5935 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 1.4267 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 2.8296 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 11 12 1 0 13 11 1 0 11 14 1 0 2 12 1 0 12 13 1 0 12 15 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.0843 -0.9142 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 -1.3723 0.7686 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -3.3428 1.1092 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 -0.8727 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 0.4877 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 -1.5668 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 0.2458 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -0.7283 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 -1.8324 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 1.6559 -0.6458 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 0.5841 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.4689 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 1.4936 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -0.1316 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 0.5159 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 2.3379 -2.3807 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.8429 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 1.0029 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 1.2189 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 1.4517 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 2.3859 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.3794 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -0.8657 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 13 10 1 0 10 16 1 0 11 17 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.2221 -0.6554 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -1.3083 0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -3.1796 0.6576 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 -1.2529 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.8230 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.7107 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.5495 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 -2.3404 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 -0.9990 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 0.7375 -0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 1.6334 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0965 1.2704 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -1.1322 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 -0.4776 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 2.3200 -1.2370 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 0.9055 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 1.7970 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 2.6282 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -0.4824 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 1.4818 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 0.8264 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -0.9597 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -0.3755 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.4357 -1.0505 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -0.1569 -0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 -0.0013 1.0132 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -0.8186 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 -2.0979 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1265 -0.7758 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -1.4644 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 0.7147 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 -1.2724 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 -0.6063 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 -2.4614 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -1.6082 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 1.4603 0.0897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 1.1073 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 0.9092 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 0.8039 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -0.5756 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -1.0526 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 3.4067 -0.4574 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 1.7545 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 1.6580 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 0.7654 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6179 1.3620 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 16 13 1 0 13 19 1 0 14 2 1 0 14 20 1 0 14 21 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.3061 -0.6505 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 -1.4499 0.3523 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 -3.1421 1.4181 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -1.1210 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 0.8414 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.6769 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 0.0938 -0.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 -1.7612 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -1.7100 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 1.2368 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.0427 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 1.4084 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 0.0395 -0.6202 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 2.1664 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 1.3816 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0288 0.4321 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 2.1087 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 0.5726 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 -0.6360 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 1.2246 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 0.0024 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -1.2471 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 -0.1564 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.3206 -0.0289 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 -0.9301 0.7302 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -2.8161 1.2131 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 0.2984 1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4446 -0.4815 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 1.2379 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -0.2889 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.3856 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -0.0560 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 0.3636 -1.1963 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2373 -0.4145 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -1.5322 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4457 0.7281 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6499 1.9583 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 1.7615 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 0.1899 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 -1.3837 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -0.0086 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 0.3018 -3.0492 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.7297 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 0.8049 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 1.3137 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 1.1535 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 -0.5303 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -1.3723 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -0.9244 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 16 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 13 22 1 0 16 23 1 0 16 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.4779 0.0128 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -0.8200 0.8859 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 -1.5494 2.5601 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 0.1478 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 -0.4307 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 0.9919 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 1.1202 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 0.3670 -1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -1.1362 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1043 3.0366 0.1688 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 0.5233 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 0.8111 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 -0.5638 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 1.0972 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -0.9741 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -1.2113 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -2.0562 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 0.7210 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5134 0.8934 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -0.1883 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 1.7998 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.9213 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -1.5136 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 -1.3716 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 0.3523 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -0.9804 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 8 12 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 11 1 0 11 18 1 0 11 19 1 0 12 20 1 0 12 21 1 0 12 22 1 0 15 23 1 0 15 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -1.2984 1.1478 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 0.5683 -0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 1.5878 0.1386 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 0.2980 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 1.2730 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 2.1539 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 0.1836 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.0117 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -1.1096 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 0.3075 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 0.9635 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -0.7685 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 0.2881 0.7363 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 1.1292 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 2.0274 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 -1.4661 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2441 -1.1795 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -1.8838 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 -0.2912 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 -0.1812 -2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 1.3665 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 1.2523 1.5270 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 -0.8873 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 -1.0930 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 -2.5564 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 -0.2162 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 -1.3679 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -1.2233 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 -1.3349 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 19 13 1 0 13 22 1 0 16 23 1 0 16 24 1 0 16 25 1 0 19 26 1 0 19 27 1 0 23 2 1 0 23 28 1 0 23 29 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.6207 -0.1121 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -0.1814 -0.6992 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 0.6168 -2.4382 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 -1.4249 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2388 1.1222 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 -0.0185 1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -1.2022 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 -2.1813 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -1.8492 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 1.1746 0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 2.0466 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 1.0806 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 0.5240 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 0.6668 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 -0.9805 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 -0.1325 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 -0.9044 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 -2.1497 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 2.6609 -0.1581 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 0.1715 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 1.6197 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 -0.0769 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.4701 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 16 10 1 0 10 19 1 0 13 2 1 0 13 20 1 0 13 21 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.3873 -0.4739 1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 0.0646 1.2476 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 1.9527 1.8102 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 -0.1796 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -0.1309 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 -1.5628 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 -0.6700 0.5583 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.6122 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 1.2502 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -2.4204 -0.0680 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 0.5149 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 0.0314 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -1.7000 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -0.3306 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 1.9469 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 1.7681 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 0.9290 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 0.4240 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 -0.3156 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 1.1185 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 -0.3302 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 0.1264 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -1.4006 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 8 12 1 0 8 13 1 0 8 14 1 0 9 11 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 12 19 1 0 12 20 1 0 12 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 1.7753 0.4525 -0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 -0.4121 -0.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -2.1539 -1.0259 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 0.1746 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 0.3561 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 1.4898 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 1.4945 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 -0.6708 -1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -0.5939 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 1.2754 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 2.0741 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 2.1188 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 -0.5784 -1.0482 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -0.3375 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -1.7129 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -0.5282 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.6416 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 -0.1635 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 -0.1192 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 1.4422 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4435 2.0397 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 -2.1420 -1.7513 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 -1.3707 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.3794 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 -0.0449 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -0.8276 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 19 13 1 0 13 22 1 0 16 2 1 0 16 23 1 0 16 24 1 0 19 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.3962 1.1718 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 0.8306 1.1809 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.0012 2.9768 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 0.1102 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 2.0903 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 1.4693 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -1.0528 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7252 -0.3763 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 0.7035 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -0.5825 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 -1.9421 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -1.3533 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -0.8135 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -1.2053 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 0.4337 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 0.6830 0.1615 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 1.7179 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 0.0760 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 -0.4226 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.3599 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6358 0.3208 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 -1.7015 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 -1.1004 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 1.1491 -0.3318 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 1.1508 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 0.0019 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 21 1 0 13 22 1 0 13 23 1 0 16 24 1 0 21 2 1 0 21 25 1 0 21 26 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -2.4834 0.8165 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 -0.2821 0.7834 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5846 -1.1675 0.4314 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 0.4580 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 1.6775 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.1687 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 0.1419 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 -0.4066 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 1.2727 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 1.4592 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 -0.8092 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 -0.5229 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 1.2921 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 2.2116 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 1.9133 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 -1.0962 -0.7397 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 -1.7296 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -0.3427 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 -1.2305 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -1.2481 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 0.2269 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 -0.1236 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 2.0074 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 1.5561 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -2.9958 -0.3601 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -2.0128 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -1.7326 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 -0.1531 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 -0.3485 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 22 16 1 0 16 25 1 0 2 19 1 0 19 26 1 0 19 27 1 0 22 28 1 0 22 29 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -0.5203 0.2190 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 1.1003 1.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2138 1.9539 2.8176 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 -0.3139 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 0.7711 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -0.6337 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -1.3610 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -0.9951 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 0.8460 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 -0.7728 0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -1.8032 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -2.1893 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.0884 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -1.3011 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -1.9146 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 0.9367 -1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 1.8083 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 0.7328 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.6180 0.2723 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -0.8210 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -1.4354 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 0.4153 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 -0.6403 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 0.7632 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 0.2659 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 1.9577 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 1.2099 0.5761 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1687 -0.4296 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 1.1013 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 19 16 1 0 16 25 1 0 16 26 1 0 19 27 1 0 22 2 1 0 22 28 1 0 22 29 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.8404 0.7521 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 0.7185 -0.5366 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3944 0.1771 -0.5385 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 0.1937 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 0.0854 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 1.7524 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 -0.8721 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 1.2752 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -0.3334 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -1.4388 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.4313 1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 -1.6820 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 0.6679 -1.1158 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 1.8223 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 2.0063 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -1.3706 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.2437 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -0.3261 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -2.1526 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -1.9924 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 2.0471 -1.9328 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -0.7958 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 0.1410 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 18 13 1 0 13 21 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.3086 -0.0933 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -0.5985 1.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -2.5730 0.8310 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 0.1251 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 0.8688 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 -0.7398 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -1.1173 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 0.9993 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 0.6300 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 -0.2442 -0.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 -1.9334 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 -1.5377 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 0.4047 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 2.0159 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 1.0872 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3194 0.3788 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 1.6992 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -1.1100 -0.2960 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 0.2141 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 -0.5527 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 1.0727 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -0.1972 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 1.2011 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 10 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 13 19 1 0 13 20 1 0 13 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.3214 -0.0204 0.3117 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4093 -0.9173 0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.7759 1.3291 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 0.3690 1.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -0.5178 -0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 1.2215 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -0.2106 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 1.4613 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 0.0514 2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 0.3328 -1.2051 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 -0.4966 -1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 -1.5608 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 0.6680 -0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 1.9202 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 1.7811 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 0.2179 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 -1.3049 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7297 0.1132 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3813 0.2015 -3.0509 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -0.7713 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 0.6987 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 1.2562 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 1.1939 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -0.5036 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 -1.4504 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 -0.9573 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 16 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 13 22 1 0 16 23 1 0 16 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.4667 0.1063 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -0.7415 0.9702 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -1.3249 2.7091 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 0.1263 -0.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1923 -0.2698 1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 1.1152 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 1.0994 -0.3095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 0.2410 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.1749 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 3.0402 -0.1037 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5418 0.5713 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 0.7212 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 -0.7355 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 0.9078 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 -0.9418 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 -1.3404 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -2.0695 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 0.8605 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 0.9120 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -0.1903 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 1.7465 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 0.7559 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -1.3979 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -1.3833 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4162 0.3949 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1406 -1.0287 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 1 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 8 12 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 11 1 0 11 18 1 0 11 19 1 0 12 20 1 0 12 21 1 0 12 22 1 0 15 23 1 0 15 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.3154 0.2294 0.3521 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6534 0.2956 0.9844 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 0.0626 2.9399 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 -1.1609 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6493 1.3584 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 0.4722 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -1.0674 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -1.8041 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 -1.7054 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.3804 0.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 2.3317 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 1.2296 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -0.2666 -1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 0.1277 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 1.5410 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 0.0807 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -2.0167 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -0.9331 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 2.8961 -1.0799 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -0.4639 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -1.2343 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 0.3164 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 0.0659 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -0.1080 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5836 -1.5339 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 -0.0934 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 16 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 13 22 1 0 16 23 1 0 16 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.1687 -0.9813 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 -1.4803 -0.4397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -3.2067 0.5426 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2985 0.3591 -0.2199 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2601 -0.8272 -1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 -1.7492 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.8263 -0.6334 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 1.4502 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 0.1719 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 1.1608 -2.5532 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 0.0080 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 0.8806 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5686 2.0971 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 2.1260 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -0.4292 1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 1.1402 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -0.4536 1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 0.5878 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9369 -0.8822 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -0.4621 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 1.6037 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.7609 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -0.0771 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 -1.5225 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 -0.3150 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -0.7864 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 6 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 8 12 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 11 1 0 11 18 1 0 11 19 1 0 12 20 1 0 12 21 1 0 12 22 1 0 15 23 1 0 15 24 1 0 20 2 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.6935 -1.2484 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -0.2002 -0.4862 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 0.6035 0.7709 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -0.5927 0.5370 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5171 -2.0131 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -1.7765 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 -1.3610 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.8487 -0.0131 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3107 -0.5493 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -0.6028 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 -2.3608 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 -1.5108 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 1.3473 -0.5437 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 0.7653 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 1.4875 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 0.9197 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 -0.9301 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -0.8748 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 3.3368 -0.8855 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 1.7402 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 0.3619 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.3648 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 1.2446 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 16 1 0 10 17 1 0 10 18 1 0 16 13 1 0 13 19 1 0 14 2 1 0 14 20 1 0 14 21 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.3481 -0.8819 0.0889 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8927 -1.1549 0.8406 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -3.0643 1.4783 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -0.7855 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 0.4675 -0.6615 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4914 -1.6621 -0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -0.0209 0.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -1.7630 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 -0.2152 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 1.0225 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 1.4323 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 0.2805 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -1.1364 -1.1353 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 1.3735 -1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 1.9006 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 0.7956 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 1.7178 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 2.3603 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 -0.7280 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 1.2520 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 1.0341 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 -1.2094 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 -1.0150 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.1256 -0.8961 -0.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7110 -1.3661 0.7402 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 -3.3469 1.0269 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -0.9126 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 0.5350 -0.7218 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4950 -1.5129 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 0.1586 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.7522 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -1.8961 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2272 1.6651 -0.6035 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 0.6458 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2237 0.5621 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 1.4358 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2526 -0.2534 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 0.4024 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 2.3656 -2.3287 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 -0.7851 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 1.1109 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 1.2462 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 1.3880 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 2.3004 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -1.2768 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 -0.8176 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 7 13 1 0 7 14 1 0 7 15 1 0 13 10 1 0 10 16 1 0 11 17 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.0507 -0.9779 -0.3879 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1895 -1.2199 0.3712 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 -3.1055 0.2530 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -1.3368 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 0.4921 -0.8007 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0614 -1.5656 -1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3578 -0.3100 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -1.2717 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -2.3597 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 0.4858 -1.0106 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 1.4389 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 0.6985 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 -0.8102 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 0.2944 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 2.1456 -1.5347 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 1.1804 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 1.2991 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 2.4891 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -0.2089 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 1.3178 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3257 1.9366 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 -0.1948 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 -0.4175 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 7 10 1 0 7 13 1 0 7 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.8016 0.7823 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 0.5129 -0.7538 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -1.0553 -1.7579 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 0.0629 0.2164 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6767 1.8706 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 0.5291 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6761 -1.2090 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 0.9181 0.6386 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 -0.2467 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.7201 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -1.9044 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 -1.7604 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 0.7263 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.5813 2.4742 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 0.4480 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9535 0.1025 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 -1.3283 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -1.3381 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9836 -0.7777 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 1.3989 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 0.9738 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -0.0401 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 1.4734 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 1 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 13 1 0 10 18 1 0 10 19 1 0 13 20 1 0 13 21 1 0 15 2 1 0 15 22 1 0 15 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.0247 0.0260 0.3601 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0366 0.7141 1.1332 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.3267 2.6338 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -0.8506 1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.7594 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 1.0526 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -0.9513 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -1.8421 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -0.3593 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0172 0.0664 -0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 -0.9053 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -1.7527 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 0.3956 -0.4357 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 1.9297 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 1.4148 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -1.2545 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 -1.7017 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 1.1457 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 0.5135 -1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 -0.5700 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 0.5726 -2.1596 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 2.0917 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 1.3506 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 13 21 1 0 18 2 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4815 0.7872 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.2933 0.2817 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 -1.2787 1.2134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2844 0.2343 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4955 1.8838 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 0.5461 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 1.3606 -0.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -0.5290 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 -0.6651 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 1.2315 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 0.0411 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -1.6055 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.3808 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 -1.1944 0.2216 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.4986 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -0.0696 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -0.1963 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 1.5742 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2665 1.9200 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 0.9983 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0424 -0.6113 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.1616 1.3539 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 -0.4746 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -0.2046 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 8 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 18 1 0 10 19 1 0 11 2 1 0 11 20 1 0 11 21 1 0 17 14 1 0 14 22 1 0 17 23 1 0 17 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 0.6854 1.3634 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 1.0083 -0.1374 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 1.4554 -1.9190 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 0.1578 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 1.8939 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 2.0897 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4864 -0.5670 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 -0.8255 1.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 0.6176 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -0.9222 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -1.4679 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 0.0982 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 -0.7276 1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 0.2834 -0.5768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 0.0985 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 1.6958 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -1.8120 -0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3189 -1.1208 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 -0.3344 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 -1.7053 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 -0.0109 2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 0.1774 -0.2027 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -0.3595 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3007 -1.0861 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 14 9 1 0 9 15 1 0 9 16 1 0 10 14 1 0 10 17 1 0 10 18 1 0 19 13 1 0 13 20 1 0 13 21 1 0 14 22 1 0 2 19 1 0 19 23 1 0 19 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.9092 0.9384 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -0.4388 -0.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2483 -0.6461 0.3641 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 0.3388 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 1.5981 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 1.4716 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 1.0795 0.8615 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 0.0768 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 -0.8683 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 0.9365 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 -0.6034 -1.1416 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -0.4442 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 1.0475 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -0.8145 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -1.8635 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -0.4279 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 1.0484 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 1.7550 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -2.4612 -1.8435 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6665 -1.2019 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1832 -0.5207 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 8 11 1 0 8 12 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 16 11 1 0 11 19 1 0 16 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.5545 0.6445 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 0.6855 -0.4295 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 2.2229 0.8038 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -0.0061 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 0.0540 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.6436 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 -0.0729 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -1.2910 0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 0.9200 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 0.5310 0.0955 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -1.0787 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 0.5577 -1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 -1.2371 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 1.9898 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 0.6934 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -0.7676 1.1804 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 -0.6381 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -2.2610 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 -0.6650 1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 -0.6166 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 -1.3084 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 10 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 17 13 1 0 13 18 1 0 13 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6208 -1.2109 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 0.0043 -0.4865 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -0.1995 0.4493 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 -0.6578 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -1.8148 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 -1.8555 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -1.5737 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 0.4938 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 -0.2978 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 -0.8821 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 1.1229 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 1.2890 0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 0.0727 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 0.3745 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -0.6186 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 -1.5821 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 1.8394 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 1.6656 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 2.8960 1.2930 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1095 0.8946 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 0.0400 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 11 8 1 0 8 12 1 0 8 13 1 0 14 10 1 0 10 15 1 0 10 16 1 0 2 11 1 0 11 17 1 0 11 18 1 0 14 12 1 0 12 19 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.0543 -0.6032 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 -1.1130 -0.1657 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -2.1171 1.5391 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 0.6260 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.4776 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -0.2774 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 0.8335 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 1.7091 0.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 0.4339 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 -0.5334 0.0942 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 -2.0320 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 -2.2088 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 1.3079 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 1.4871 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 1.3282 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 -0.7919 -0.8297 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 0.0322 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 2.1538 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 1.2255 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.2368 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 0.2538 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.0374 1.1067 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 0.7548 -0.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -0.1005 1.2298 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 -0.1212 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 1.1229 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 2.0914 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -1.3242 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 0.3665 -1.3693 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 -0.1521 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 -1.4276 0.6041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 -2.2613 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -1.2918 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 0.6869 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -0.8972 -2.9090 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -1.1438 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 0.3019 -2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -0.1473 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 0.6188 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7724 1.7447 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 -0.3018 0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 0.3742 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 10 1 0 13 17 1 0 13 18 1 0 13 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4581 -0.0248 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4953 -1.1240 0.4264 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -2.1885 2.1051 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -0.2502 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 1.3709 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9711 -0.3007 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -1.0218 -0.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 0.6857 -1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -0.8256 -2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 1.6800 -0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 2.1409 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2407 1.4853 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.8872 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 0.6287 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 -0.7542 -1.9597 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 0.5350 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.6007 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 0.2054 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 0.8661 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 -0.2031 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -1.4171 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 16 10 1 0 17 16 1 0 16 18 1 0 16 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6814 -1.1674 -0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 -0.0346 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -0.4945 1.3296 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 -0.7295 -0.9837 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6859 -2.0947 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.3470 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -1.4725 -0.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 0.7825 -0.6727 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0457 -0.9369 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -0.9313 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 0.8294 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 1.3468 -0.4828 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 1.2891 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 0.5138 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -1.0050 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 -1.5501 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 1.8467 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7879 0.4410 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 3.3004 -0.0937 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 0.8770 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 0.5368 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 11 8 1 0 8 12 1 0 8 13 1 6 14 10 1 0 10 15 1 0 10 16 1 0 2 11 1 0 11 17 1 0 11 18 1 0 14 12 1 0 12 19 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.0051 -1.0199 0.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3582 -1.2394 0.0229 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -1.6994 1.4636 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 0.3676 1.1732 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0963 -1.1530 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -1.7953 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 0.8530 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 1.3030 0.9977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 0.2671 2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 0.2007 -0.7574 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -1.5868 -1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 -1.8309 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 1.9444 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 0.5203 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 1.2978 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 0.3218 -1.7267 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 -0.1024 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 1.7652 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 1.9448 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -0.1223 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 -0.2362 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 8 4 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6570 -1.2176 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 0.0144 -0.5506 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.0664 0.3566 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -0.7651 -0.6221 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7308 -1.6176 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -2.0105 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 -1.6356 -0.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 0.5693 0.1270 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0873 -0.6305 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -1.0326 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 1.1693 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 1.2724 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 0.3688 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 0.3785 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -0.9977 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8258 -1.6876 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 1.8936 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6965 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 3.0907 0.6981 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 0.8087 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1844 0.2662 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 11 8 1 0 8 12 1 0 8 13 1 1 14 10 1 0 10 15 1 0 10 16 1 0 2 11 1 0 11 17 1 0 11 18 1 0 14 12 1 0 12 19 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.0709 -0.5895 -0.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3077 -1.0958 -0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 -2.8052 0.6994 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 0.6646 0.4956 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3307 -1.4246 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -0.2852 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 0.8977 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 1.7732 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 0.4727 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -0.4511 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 -2.0487 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -2.0851 0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 1.3961 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 1.5473 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 1.3633 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -0.6685 -0.5552 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -0.0055 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.3492 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 2.1395 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 0.0784 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -0.2229 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 8 4 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6556 -1.1946 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 0.0395 -0.5396 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 0.1491 -0.0061 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 -0.7649 0.1218 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0637 -1.6827 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 -1.9159 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -1.6454 -0.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 0.6441 -0.4749 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0762 -0.7316 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 -0.9586 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 1.1801 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 1.3205 -0.1049 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 0.5482 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 0.3316 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.7347 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 -1.6603 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 2.0752 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 1.4051 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 2.7797 1.2420 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 0.7779 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 0.0376 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 10 7 1 0 11 8 1 0 8 12 1 0 8 13 1 6 14 10 1 0 10 15 1 0 10 16 1 0 2 11 1 0 11 17 1 0 11 18 1 0 14 12 1 0 12 19 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.0531 -0.6480 0.2570 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2154 -1.1229 -0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 -2.7293 0.6055 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 0.7612 -0.2493 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3387 -1.3727 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -0.6081 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 0.9435 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.7331 0.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.8136 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -0.4209 0.3051 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -1.5407 -1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -2.3368 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 1.5148 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 1.5094 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.2142 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 -0.7577 -0.3633 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 0.0102 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 2.0367 0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9859 0.9370 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2095 -0.2899 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.3532 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 8 4 1 0 4 9 1 6 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4153 -1.1335 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 0.0161 -0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 -0.1376 0.6092 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.8447 0.4008 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9071 -2.1045 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 -1.1881 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -1.6473 0.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 0.6973 0.3720 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8608 -1.1106 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 -1.0823 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 1.1722 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.2208 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 1.0328 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 0.3136 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 -1.0735 -1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -1.7373 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 2.0330 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 1.5216 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 3.1279 0.2752 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 0.6568 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 0.2671 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 10 7 1 0 11 8 1 0 8 12 1 0 8 13 1 1 14 10 1 0 10 15 1 0 10 16 1 0 2 11 1 0 11 17 1 0 11 18 1 0 14 12 1 0 12 19 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.1219 -0.7637 -0.3029 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2949 -1.1296 -0.0848 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -1.7640 1.7369 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 0.7409 -0.1763 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2732 -1.4748 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 -1.0046 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 0.7707 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 1.4558 0.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 1.2027 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -0.5702 0.3252 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -2.4847 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 -1.5824 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4689 1.5811 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 0.9800 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 1.3447 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 -0.8076 -1.3423 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 -0.0165 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 2.1537 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 1.5231 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2023 -0.2369 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 0.0824 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 8 4 1 0 4 9 1 6 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.0902 -0.9245 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2122 0.5301 -0.0334 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 1.3054 0.6358 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6511 -1.4253 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -1.4040 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -1.2909 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.7062 -0.6051 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6077 -2.5072 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -1.2643 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 -0.9582 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.8188 -0.5447 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1304 -1.0319 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.3216 -0.5744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 -1.2213 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 -1.7784 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 1.3409 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 1.2764 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 1.1771 -1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 0.4997 0.0591 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 1.4119 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 2.3319 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 1.1449 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 2.3535 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 6 13 19 1 0 13 16 1 0 16 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.2582 0.8831 -0.3325 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5254 0.6735 0.3823 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 2.1483 0.2821 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 -0.5084 -0.7789 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8747 1.4019 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 1.5229 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 -0.6013 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -1.4644 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 -0.6265 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 0.2279 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 1.8624 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 2.1714 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.6370 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.1940 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 -0.6492 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -1.7293 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -2.3921 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 0.6183 1.5545 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 -0.6450 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 -1.0624 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 8 4 1 0 4 9 1 6 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 10 18 1 0 2 15 1 0 15 19 1 0 15 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.1415 -0.8762 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 0.5428 0.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 0.8373 2.2876 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -1.5288 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -0.9313 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9338 -1.4801 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 -0.6581 -0.3895 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7437 -2.5328 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 -1.6424 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 -0.9781 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 0.7413 0.1914 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1394 -0.6297 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 0.2740 -0.5527 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -1.1928 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -1.8347 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 1.3980 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1305 1.3662 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 0.6917 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 0.5403 0.0697 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 2.1655 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 1.8805 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 2.3949 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 1.4527 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 1 13 19 1 0 13 16 1 0 16 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.3247 1.3835 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 0.2482 -1.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 0.6687 -1.2129 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 0.9416 0.0103 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8303 2.2147 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 1.7668 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 -0.1935 -0.6677 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 0.5106 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 1.7944 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -0.6276 -0.1354 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -1.3326 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -0.5881 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 1.3701 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0975 0.1561 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 -0.9316 -0.3378 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9262 -2.1976 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -1.6546 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 -1.4802 1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 -0.2661 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 -1.7829 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 2 15 1 0 15 20 1 1 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.2259 0.9553 0.2129 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6719 1.2007 0.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 2.2327 1.5212 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -0.4666 0.7949 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5330 1.0883 -1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 1.6759 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -1.2942 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 -1.0864 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -0.3928 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 0.6895 -1.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 0.4435 -1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 2.1050 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2173 -0.4291 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -1.7060 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -2.1525 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -0.1216 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.1425 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -2.0993 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2551 2.1925 -0.9158 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 -0.0758 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -1.0543 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 -0.3933 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 -0.1689 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 1 5 10 1 0 5 11 1 0 5 12 1 0 13 7 1 0 7 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 8 18 1 0 13 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 16 2 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1660 -0.6743 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1562 0.7700 -0.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 1.5274 0.3066 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -1.3730 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.8239 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -1.2004 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 -0.5143 -0.6449 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8043 -2.3405 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -1.5911 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.0836 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.9144 -0.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3556 -0.4453 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 0.1430 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -1.7485 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -1.6543 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 0.9938 0.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 1.1974 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 1.6110 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 0.6042 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 -0.1212 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 2.8368 1.2540 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 0.6966 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 2.2759 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 6 13 16 1 0 13 19 1 0 13 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.7890 -1.1471 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.2602 -0.4818 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 0.9829 0.8225 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -1.3882 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -1.5084 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -1.7710 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 -0.4683 0.7673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4694 -2.4367 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 -1.2322 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -0.8705 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 0.9791 0.4104 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9058 -0.4752 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 0.3872 -0.8483 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 -1.4334 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0898 -1.5134 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.4964 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 1.0893 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 1.5240 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 0.4783 -1.3523 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 1.6888 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 2.4228 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 2.1431 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 0.7920 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 1 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 1 13 19 1 0 13 16 1 0 16 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.3315 0.7641 0.4148 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3739 0.7642 -0.6178 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 2.2853 -0.5526 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -0.6977 0.5383 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9467 1.5218 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 1.0904 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -0.6980 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 -1.4739 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0532 -1.0410 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 0.6621 0.5791 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 2.5237 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0286 1.6286 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 -1.4590 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 -0.9008 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 -0.5648 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -2.4556 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 -1.6287 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 1.1654 0.0249 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -0.6853 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -0.8006 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 8 4 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 7 10 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 10 18 1 0 2 15 1 0 15 19 1 0 15 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.2149 -0.1005 1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -1.1591 0.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 -1.6826 1.8833 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 0.8527 0.4943 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0159 -0.5695 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 0.5104 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 0.1276 -0.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 1.5167 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4162 1.6393 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 -0.2724 -0.1195 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 -1.0192 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2518 0.4286 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 2.2082 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 2.1137 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 -0.9595 -0.5204 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2203 -1.9874 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.9864 -2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 0.5594 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 0.5338 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 -1.7539 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 2 15 1 0 15 20 1 6 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.1606 -0.2649 0.9215 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5432 -0.6365 0.5474 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 -2.3997 -0.2895 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -1.2044 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 0.9489 0.0393 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1927 0.0484 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -0.7807 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 -2.2703 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -1.0260 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 1.0630 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 0.6819 -0.6198 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 1.8640 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.1203 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 -1.2306 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 0.5150 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 2.0965 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 0.4550 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 1.7116 0.1557 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 0.2892 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 1.2600 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 1 7 11 1 0 7 13 1 0 7 14 1 0 15 10 1 0 10 16 1 0 10 17 1 0 11 18 1 0 2 15 1 0 15 19 1 0 15 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.5898 0.8147 0.4214 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4300 1.3024 -0.5261 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 3.2598 -0.4760 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 -0.6084 0.8460 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7127 0.0776 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 1.4591 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -1.0694 0.5457 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -0.9104 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 -0.6844 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 0.5432 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -0.1094 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7977 -2.8730 -0.1748 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 0.4705 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -1.5983 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -1.3248 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 0.4778 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 0.7730 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 8 4 1 0 4 9 1 1 7 5 1 0 5 10 1 0 5 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 13 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4929 -0.9883 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 0.1676 1.0544 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0001 0.1582 1.3640 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 -1.0410 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -0.4989 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -1.9449 0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 0.0054 -0.2996 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -2.0122 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 -0.8824 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 0.7109 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.1958 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -0.2370 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 1.0978 0.3885 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 1.3445 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 1.3714 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 1.9995 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 1.9451 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 0 14 2 1 0 14 16 1 0 14 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.5118 -1.0649 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -0.1900 -1.2777 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -0.4158 -2.3790 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.1357 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 0.0163 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 -2.0510 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 0.1197 0.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4487 -2.0076 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 -1.3326 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6256 0.9571 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 -0.0515 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 0.1587 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 0.0059 -1.3511 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 1.3032 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2061 1.8463 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.7502 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 2.0917 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 2 10 1 0 14 10 1 0 10 15 1 0 14 16 1 0 14 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.7479 1.0834 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 -0.1706 -0.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 0.0079 -0.6798 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.8766 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 1.9049 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 1.3833 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 0.6237 1.0894 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 -0.5881 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 1.6701 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 0.9452 1.9176 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -0.8053 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -0.7373 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 -1.1203 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 -0.9283 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 -1.5732 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.9871 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -0.5850 1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 8 11 1 0 8 12 1 0 8 13 1 0 11 14 1 0 11 15 1 0 14 2 1 0 14 16 1 0 14 17 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.5240 -0.8319 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 0.1287 -1.3831 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8733 0.3088 -2.6263 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 -0.5590 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -0.6348 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 -1.8693 -0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -1.3800 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 0.8936 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.6816 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 -0.4169 0.5125 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -1.7503 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -2.2430 0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 0.8067 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 1.3727 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 1.5042 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -1.0344 -0.0835 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 1.6893 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5768 0.7434 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 2.0778 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 1.8756 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 10 16 1 0 10 13 1 0 13 17 1 0 13 18 1 0 14 2 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4802 -0.5073 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 0.9188 0.5513 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 2.1500 0.3337 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 -0.8292 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.9431 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -0.7970 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 -1.2087 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 0.6712 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -1.4568 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.0179 0.2575 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 -1.8874 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 -1.7692 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 1.0523 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 0.9638 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 0.5146 2.1763 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 1.0336 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 2.0766 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 2 1 0 8 14 1 0 10 15 1 0 10 13 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.7290 -1.4309 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 -0.4831 0.4527 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0722 -0.4720 -1.1574 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 -0.6513 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 -1.8405 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 -2.2967 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5034 -0.3760 0.8445 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.8261 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -0.9585 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -1.2264 0.5237 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.0650 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 0.8135 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 1.3105 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 1.7197 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 1.4496 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 0.8728 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 1.6782 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 11 8 1 0 8 12 1 0 8 13 1 0 11 14 1 0 11 15 1 0 12 2 1 0 12 16 1 0 12 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4464 -0.8422 -0.3642 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4182 -0.6013 0.7224 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 -1.6644 0.6054 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 -1.2244 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 0.6656 -0.6228 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7908 -1.4363 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 0.0085 0.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -1.6002 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -2.0181 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 1.0817 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 0.8129 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 0.9834 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 -0.0223 1.0221 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 2.0449 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 1.1935 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 1.5118 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 1.1068 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 0 11 2 1 0 11 16 1 0 11 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.1361 0.7554 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 -0.5011 -0.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2136 -0.2973 1.1007 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 0.8643 0.2777 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7836 0.6870 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 1.6405 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 1.0204 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.5954 0.5638 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1819 1.4610 1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.4470 -0.3821 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 1.4846 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 1.5666 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -1.4298 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -0.7838 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 -1.2564 0.2292 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 -1.9550 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 -2.2139 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 1 10 15 1 0 13 2 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4768 -0.5981 0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 0.8363 0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 2.0560 0.5230 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 -0.7913 -0.4751 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4698 -0.8685 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -1.1317 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -1.1904 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.7313 -0.6052 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7083 -1.3362 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 0.0229 0.2793 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -1.9549 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -1.6551 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 1.1226 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 1.1128 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 0.3231 2.2427 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 1.2158 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 2.1054 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 6 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 2 1 0 8 14 1 6 10 15 1 0 10 13 1 0 13 16 1 0 13 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.7286 -1.4310 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.4840 0.5386 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -0.4282 -1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 -0.6407 -0.2371 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4711 -1.8668 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -2.2794 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 -0.3950 0.7538 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 0.8354 -0.1090 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7586 -0.9229 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 -1.2408 0.3176 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 1.0537 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.8041 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.3452 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 1.6853 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 1.4547 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 0.8349 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 1.6756 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 7 11 1 0 11 8 1 0 8 12 1 0 8 13 1 6 11 14 1 0 11 15 1 0 12 2 1 0 12 16 1 0 12 17 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.7432 -1.2410 -0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 -0.2576 -1.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 -0.7599 -0.1458 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -0.8597 0.4470 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0648 -1.1637 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 -2.2821 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -0.9452 0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 0.6189 0.6509 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4417 -1.4543 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 0.4114 0.1669 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 -1.2440 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -1.7093 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 1.3268 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 1.0003 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 0.7596 1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 0.7976 -1.6967 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 2.3272 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 1.4756 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 1.7661 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 1.4332 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 16 1 0 10 13 1 0 13 17 1 0 13 18 1 0 14 2 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -1.1385 -1.3340 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 -0.2137 -0.6887 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 -0.5110 -0.1550 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -0.6044 -0.4143 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3192 -1.7885 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -2.1114 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 -1.0646 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 0.6044 0.4143 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4141 -0.3174 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 0.2137 0.6887 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -1.6815 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -1.6569 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 1.3340 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 1.0646 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4141 0.3174 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 0.5110 0.1550 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 1.7885 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 2.1114 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 1.6569 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 1.6815 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 6 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 16 1 0 10 13 1 0 13 17 1 0 13 18 1 0 14 2 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -1.0433 -1.3921 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0858 -0.3334 -0.5853 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 -0.8350 0.0271 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0709 -0.7118 0.2374 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7376 -1.6603 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -2.3088 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 -0.9246 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 0.7118 -0.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1416 -0.7925 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.3334 0.5853 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 -1.8057 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 -1.0291 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 1.3921 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5423 0.9246 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 0.7925 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.8350 -0.0272 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 2.3088 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 1.6603 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 1.8057 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 1.0291 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 6 10 16 1 0 10 13 1 0 13 17 1 0 13 18 1 0 14 2 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4906 -0.9622 0.3717 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0148 0.2491 1.0553 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 0.2700 1.3960 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.9979 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.5808 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 -1.9007 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 -0.0227 -0.3239 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -1.9894 0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2483 -0.7614 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 0.6482 -0.8588 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5080 -0.3445 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -1.3291 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 1.1120 0.2576 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 1.3661 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 1.2432 -1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 2.0666 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 1.9334 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 6 14 2 1 0 14 16 1 0 14 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.7633 -0.8813 -0.1079 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3472 0.3913 -0.5872 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 0.4874 -2.4537 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.1441 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -0.4517 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -1.7357 -0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 -0.2311 0.1206 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 -2.1777 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -0.9798 -1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 0.6332 0.8306 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0568 -1.2384 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.0614 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 0.6252 -0.7879 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 1.4247 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 1.2310 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 2.2006 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 1.9079 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 10 1 0 10 14 1 0 10 15 1 1 14 2 1 0 14 16 1 0 14 17 1 0 M END $$$$ RDKit 3D 37 38 0 0 0 0 0 0 0 0999 V2000 -1.7510 1.2838 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 0.7872 0.9154 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 1.9719 2.0794 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 0.1938 0.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8232 2.0306 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 1.7955 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 -0.8468 -0.5744 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 0.9737 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 -0.2992 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -1.9607 -1.7794 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -1.4725 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 0.2397 -0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 1.1746 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.9365 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -0.6162 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5321 -2.0444 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 -2.9373 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9411 0.8315 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 -0.9818 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -0.7354 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -3.4069 -0.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5782 -1.8047 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3732 -1.8965 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -3.1858 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 -3.4037 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 2.1236 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9146 1.0825 -2.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 -0.2069 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5675 2.9281 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 1.9705 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 2.4796 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 0.1841 -2.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 1.3826 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 1.8781 -2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 -1.1559 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 0.1360 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 -0.4292 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 18 12 1 0 2 15 1 0 15 19 1 0 15 20 1 0 16 21 1 0 16 22 1 0 16 23 1 0 21 17 1 0 17 24 1 0 17 25 1 0 26 18 1 0 18 27 1 0 18 28 1 0 26 29 1 0 26 30 1 0 26 31 1 0 27 32 1 0 27 33 1 0 27 34 1 0 28 35 1 0 28 36 1 0 28 37 1 0 M END $$$$ RDKit 3D 37 38 0 0 0 0 0 0 0 0999 V2000 -0.6811 0.3594 0.8539 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6021 -0.7555 0.5008 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 -2.5740 0.1181 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 1.5338 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 0.0644 1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 0.7222 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 2.1026 -0.2701 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5287 1.1693 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 2.3027 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -0.1446 -0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 0.9357 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 -0.7894 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 4.0043 0.3235 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 1.2124 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -0.3450 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8942 -0.2509 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 1.3200 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 1.4994 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 0.9147 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.6111 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 -1.5610 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -1.2052 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -0.6363 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 1.0950 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 0.8328 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 1.8017 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -1.4903 -1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 0.2309 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4361 -0.7763 -1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -2.4431 0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -1.3883 1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 -1.7966 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 -1.6137 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 -0.7252 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -2.0552 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 0.1447 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 -1.0843 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 15 10 1 0 14 16 1 0 14 17 1 0 14 18 1 0 19 15 1 0 15 20 1 0 15 21 1 0 16 2 1 0 16 22 1 0 23 16 1 0 19 24 1 0 19 25 1 0 19 26 1 0 20 27 1 0 20 28 1 0 20 29 1 0 21 30 1 0 21 31 1 0 21 32 1 0 22 33 1 0 22 34 1 0 22 35 1 0 33 23 1 0 23 36 1 0 23 37 1 0 M END $$$$ RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -2.4408 -0.5355 -1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 -1.2718 -1.1797 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 -2.9927 -2.2092 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6072 0.8182 -0.3691 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1096 -0.3188 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -1.1474 -0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 0.6737 1.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.8173 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 1.3419 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 -0.1172 2.3928 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -0.1048 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.3940 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 2.7261 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 2.1556 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 -1.4454 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 0.8271 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2535 -0.0855 2.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6879 1.9407 0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.5058 -1.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 -1.8864 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 -2.1513 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 0.3825 1.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4059 1.9085 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 0.5862 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 -1.0613 2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9748 0.6391 2.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 1.5662 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 2.6591 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 0.1337 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 0.0974 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 0.6533 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 1.9950 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -0.5595 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9527 0.3979 0.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8468 -0.5421 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2701 -0.1139 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3298 -1.9852 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -0.4745 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 -0.7210 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5759 0.9386 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 -0.2099 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 -2.6998 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 -2.1645 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -2.2267 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8641 -0.7383 1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 0.5444 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -1.1486 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 18 12 2 0 12 19 1 0 2 15 1 0 15 20 1 0 15 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 22 17 1 0 17 25 1 0 17 26 1 0 27 18 1 0 18 28 1 0 19 29 2 0 19 30 1 0 31 27 2 0 27 32 1 0 29 31 1 0 29 33 1 0 34 31 1 0 35 34 1 0 36 35 1 0 35 37 1 0 35 38 1 0 36 39 1 0 36 40 1 0 36 41 1 0 37 42 1 0 37 43 1 0 37 44 1 0 38 45 1 0 38 46 1 0 38 47 1 0 M END $$$$ RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -2.3980 0.5891 0.8517 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7734 0.3181 1.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 1.1239 3.0991 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 1.0270 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.6500 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9793 1.4426 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.2292 -1.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 2.0416 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 1.1581 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 -0.4019 0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -1.5001 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -0.9795 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 -0.6594 -3.0545 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -0.5888 -0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.0656 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 0.4844 1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7555 0.1086 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 -1.5716 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 -0.7800 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -0.8323 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2103 -1.7772 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 0.7115 1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 1.0027 2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6482 1.3310 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0579 -0.5469 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 0.0605 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 -1.3766 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 1.4063 2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7904 0.6988 0.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 1.5272 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 2.2818 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -0.9352 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4862 -1.3104 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 0.3993 0.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -0.0950 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 0.3144 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 -1.5987 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 0.6334 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 0.1206 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 1.3808 -1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 -0.2247 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4565 -2.2107 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 -1.8580 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 -1.9098 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5827 0.4092 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1739 0.3515 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1977 1.7210 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 15 10 2 0 10 16 1 0 14 17 1 0 14 18 1 0 14 19 1 0 20 15 1 0 15 21 1 0 16 22 2 0 16 23 1 0 17 2 1 0 17 24 1 0 25 17 1 0 26 20 2 0 20 27 1 0 22 26 1 0 22 28 1 0 24 29 1 0 24 30 1 0 24 31 1 0 29 25 1 0 25 32 1 0 25 33 1 0 34 26 1 0 35 34 1 0 36 35 1 0 35 37 1 0 35 38 1 0 36 39 1 0 36 40 1 0 36 41 1 0 37 42 1 0 37 43 1 0 37 44 1 0 38 45 1 0 38 46 1 0 38 47 1 0 M END $$$$ RDKit 3D 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0348 -0.5143 -1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 0.5067 -1.7926 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2047 2.0996 -2.7359 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.7151 0.1472 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3436 -1.4665 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -0.3963 -1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 -0.8922 0.8763 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 0.4263 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -1.6321 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -2.4179 2.1531 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -0.4083 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 0.6803 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4565 1.3632 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1027 0.2028 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 0.8115 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0546 -1.5308 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4716 -0.2215 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0746 1.8612 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3496 -0.5469 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 0.9594 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 1.6361 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 1.1550 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -1.3931 0.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -1.3095 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -2.5412 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 -0.3018 2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 0.6728 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 2.0856 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 1.6483 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 2.7624 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 -0.9117 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 -0.3084 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -1.3634 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 18 12 1 0 12 19 1 0 12 20 1 0 2 15 1 0 15 21 1 0 15 22 1 0 16 23 1 0 16 24 1 0 16 25 1 0 23 17 1 0 17 26 1 0 17 27 1 0 18 28 1 0 18 29 1 0 18 30 1 0 19 31 1 0 19 32 1 0 19 33 1 0 M END $$$$ RDKit 3D 33 34 0 0 0 0 0 0 0 0999 V2000 0.0771 -0.8401 -0.0031 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6198 0.2901 -0.6826 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 0.1274 -2.7145 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 -1.7235 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.3103 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -1.5275 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -1.9951 0.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 -1.2332 1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -2.6566 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.4442 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 -1.1576 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 0.3477 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 -3.5362 -0.9177 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 -0.7702 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 -0.4764 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 1.0915 1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 1.2515 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 0.4761 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -0.8964 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 -0.6077 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 0.0743 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -0.8966 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -1.3086 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 0.3384 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 1.7917 1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 1.6524 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 1.2867 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 1.7814 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 2.1937 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 1.8411 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 0.7661 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 1.6524 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 2.5292 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 15 10 1 0 10 16 1 0 10 17 1 0 14 18 1 0 14 19 1 0 14 20 1 0 15 21 1 0 15 22 1 0 15 23 1 0 16 24 1 0 16 25 1 0 16 26 1 0 18 2 1 0 18 27 1 0 28 18 1 0 27 29 1 0 27 30 1 0 27 31 1 0 29 28 1 0 28 32 1 0 28 33 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 0.5060 -1.4347 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.8405 -1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 -3.7827 -1.6577 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 0.1007 -0.4091 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8328 -2.0275 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -1.6589 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 0.5740 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 0.2782 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.6290 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 2.5673 1.0046 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7472 0.0306 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7859 1.6343 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 -0.0869 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -0.4369 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7707 -1.4820 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 0.8518 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 0.4817 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 1.5366 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 2.4023 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 1.9897 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -0.0876 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 0.6249 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -1.0845 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -1.9990 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 -1.7946 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 1.3392 0.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 1.6686 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 0.2685 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -0.2939 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 1.0323 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 12 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 13 23 1 0 2 15 1 0 15 24 1 0 15 25 1 0 16 26 1 0 16 27 1 0 16 28 1 0 26 17 1 0 17 29 1 0 17 30 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 0.5859 0.0407 -0.7131 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5220 1.0006 -0.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 2.2997 -1.9433 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -1.3957 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 0.6573 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -0.1026 -1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 -2.0111 -0.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.3670 0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 -2.0436 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 0.9152 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 -0.1855 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 1.6304 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -3.4115 -1.9331 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 -1.0335 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 1.4035 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.5765 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -0.0134 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 -0.4174 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 -1.1255 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 0.3629 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 0.2628 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -0.7917 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -1.4888 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 0.1591 1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9549 1.1877 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 0.6187 1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 -0.8445 2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 0.8447 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 1.0056 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 2.2665 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 10 15 1 0 10 16 1 0 10 17 1 0 11 18 1 0 11 19 1 0 11 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 21 2 1 0 21 24 1 0 25 21 1 0 24 26 1 0 24 27 1 0 24 28 1 0 26 25 1 0 25 29 1 0 25 30 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.3109 -0.0462 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 0.0099 0.8613 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -1.1361 1.1468 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.0787 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.7798 -1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 -0.9866 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -0.8169 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 1.5184 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -0.5331 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5561 -0.4506 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.6984 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -1.8749 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7599 1.8184 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 2.2447 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 1.6541 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5537 -1.6279 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3274 -0.1244 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9193 0.9413 -0.3406 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -1.4259 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 -0.5839 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 1.6752 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 2.8811 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.7563 0.8805 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3026 -2.4609 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -1.3302 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.2620 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 19 10 1 0 10 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 19 24 1 0 19 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.6141 -0.2382 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 0.5868 -0.8059 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 1.1141 -1.6430 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -0.7956 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 -1.4503 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 0.3931 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 0.0800 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -0.8446 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 -1.8247 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 -2.0840 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -1.1513 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 -2.0683 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 -0.4052 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 1.5456 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3411 -0.2409 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 -1.1809 -0.3503 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 0.4077 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 -1.0138 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 1.7685 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3486 2.1989 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.8318 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 0.6262 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 -0.7085 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 -1.2395 -1.1062 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 2.6298 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 2.0634 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 15 7 1 0 13 16 1 0 13 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 14 21 1 0 16 15 1 0 15 22 1 0 15 23 1 0 16 24 1 0 19 2 1 0 19 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.2380 -1.5118 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 -1.3787 -0.6827 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 -2.4691 -1.3492 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -0.9466 1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 -2.5635 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -1.0093 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 0.0584 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 -1.7707 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0416 -0.4666 2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.5759 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 0.9357 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 0.7779 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.5993 -0.8228 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 -0.6846 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -1.5442 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 1.8491 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 0.0282 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 1.5924 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 1.8222 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 0.2426 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 0.2148 -0.9734 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 2.4962 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 2.4980 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 1.2886 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 0.0529 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 0.4646 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 13 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 17 2 1 0 17 25 1 0 17 26 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.4932 0.5701 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 0.1232 -0.0421 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 -0.3734 0.8934 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -0.1023 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 1.6565 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 0.1296 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -0.8000 0.6218 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.7735 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7382 -1.0194 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 0.0201 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 -2.1241 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.8069 -0.8935 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 0.1321 -2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.2024 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 -1.3277 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -1.9096 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 1.5291 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -0.1382 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 -0.3152 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 -2.5516 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -2.0894 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 -2.8356 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 3.6984 -1.1524 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5514 2.0366 0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 1.9079 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 10 19 1 0 11 20 1 0 11 21 1 0 11 22 1 0 17 12 1 0 12 23 1 0 17 24 1 0 17 25 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -0.5382 -0.9782 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 -1.0182 -0.4633 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -2.6322 0.6168 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 -0.3205 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -0.4090 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2143 -1.9794 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 -1.1737 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 1.0084 0.4547 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 -0.2757 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -1.5739 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -2.0093 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -0.5887 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 2.0604 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2055 0.8653 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 0.5597 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 -0.3175 -1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.8255 0.7350 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.8412 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 3.0095 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 2.2427 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 0.2673 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 0.2377 1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 1.8412 1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 0.1946 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 0.9737 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 10 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 13 18 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 21 2 1 0 21 24 1 0 21 25 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.0271 -1.3041 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -1.6999 -0.7003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -3.5529 -0.0236 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -0.0472 -0.3023 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0557 -1.0735 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 -2.0922 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 1.1714 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -0.3604 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 0.5382 -0.2784 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2687 2.3392 -0.2617 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 1.2297 -1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 1.1639 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -1.0602 1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 1.8260 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 -0.6370 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 0.7946 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 3.6796 0.7352 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -2.1225 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.9723 2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6841 -0.6511 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 2.5062 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 1.6524 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -0.4887 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 -0.8394 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 1 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 14 9 1 0 9 15 1 0 9 16 1 6 10 17 1 0 10 14 1 0 13 18 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 15 2 1 0 15 23 1 0 15 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.9583 1.3686 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 1.1922 -1.9986 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 2.8778 -2.5163 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 0.0098 -0.6044 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8999 2.1623 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 1.5766 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -0.3701 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -0.1895 -0.0525 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2756 -0.7149 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -1.5235 1.1455 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 -0.6023 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 0.4321 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 0.7729 0.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 0.1723 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -1.6066 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -3.2378 1.2808 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 0.5487 1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 -0.6925 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 0.5394 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 -2.3206 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -1.9180 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 1.4647 2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6287 0.3069 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -0.2486 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 6 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 1 8 14 1 0 15 8 1 0 10 16 1 0 10 15 1 0 17 13 1 0 14 2 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 17 22 1 0 17 23 1 0 17 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.2755 -1.1981 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 -1.5456 -0.5542 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -3.1325 0.6778 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.2067 0.0242 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3820 -0.7068 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -2.0811 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 1.0568 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -0.8032 1.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 0.3273 0.7651 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1677 2.0233 -0.6547 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 1.4213 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 0.8530 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 -1.3755 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 1.8427 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -0.2945 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 0.0398 1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 3.8935 -1.0615 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 -2.2961 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -1.6340 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 -0.6737 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 2.2964 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 2.2648 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 0.3534 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -0.4246 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 1 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 14 9 1 0 9 15 1 0 9 16 1 1 10 17 1 0 10 14 1 0 13 18 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 15 2 1 0 15 23 1 0 15 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.7782 1.5912 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 0.7853 -1.9186 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 1.6822 -3.5083 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 0.7611 0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3571 2.5652 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 1.7648 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -0.3126 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -0.0168 0.3178 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2723 1.4037 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -1.4250 0.6983 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 -0.5848 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 0.0460 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 0.4647 1.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.3471 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -1.4933 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -3.1330 0.4922 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -0.1498 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 1.1538 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -0.5095 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 -1.9605 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 -2.0855 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 0.4219 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8221 -0.1451 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -1.1712 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 1 8 14 1 0 15 8 1 0 10 16 1 0 10 15 1 0 17 13 1 0 14 2 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 17 22 1 0 17 23 1 0 17 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.3884 1.1436 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 1.7662 0.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 3.7650 0.8519 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 -0.4148 0.1880 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1723 1.4097 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 1.5274 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 -0.8880 -0.6765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -0.8872 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 -0.7816 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1089 -2.9145 -0.8992 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0755 -0.1693 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -1.9623 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -0.3971 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 -0.6468 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9322 1.3548 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 -0.6209 -1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 -0.7735 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 1.8069 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 1.7098 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 -1.2834 0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 0.1815 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 -1.3039 -1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.5716 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 -0.0500 1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 8 12 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 2 15 1 0 15 18 1 0 15 19 1 0 16 20 1 0 16 21 1 0 16 22 1 0 20 17 1 0 17 23 1 0 17 24 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.5030 -0.1405 -0.5151 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2154 -0.4990 -1.1579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -2.1407 -2.2902 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 1.3395 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 -1.0597 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 -0.1971 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 1.5974 0.8977 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 1.5551 0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 1.9952 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -1.0016 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -2.1066 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.7712 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 3.4482 1.6852 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.3029 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9437 -0.1400 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 2.0004 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 1.4547 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 -1.2352 0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -0.4284 -0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -1.2790 0.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -2.2179 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3438 -0.9326 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 0.4301 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 -0.9739 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 15 2 1 0 15 18 1 0 19 15 1 0 18 20 1 0 18 21 1 0 18 22 1 0 20 19 1 0 19 23 1 0 19 24 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.8365 -2.0771 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -1.2780 0.2435 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -2.2907 -0.5336 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -1.3343 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 -2.3257 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -3.0231 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 0.0169 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.9592 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.1756 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -0.1001 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 0.8412 0.2984 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8189 0.7141 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 1.0170 -0.4824 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 0.1045 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9141 -1.0658 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 2.2100 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 0.0207 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 1.0195 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.5943 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 0.0400 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 0.8575 -0.8446 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 2.1259 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 2.8364 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5797 2.7457 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 -0.1191 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 0.6052 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 1 13 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 17 2 1 0 17 25 1 0 17 26 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5329 0.7330 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -0.4757 0.1073 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -1.1124 -0.7505 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.6380 -0.0008 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0366 1.6492 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 0.6954 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 1.1599 -0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0281 1.0971 1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -0.8421 -0.2622 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1703 0.2265 -0.3314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 1.0970 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 2.1978 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7815 0.6195 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 2.1788 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 0.9002 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 -1.0645 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -1.4954 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 -1.0420 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 0.1176 -1.5189 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -1.9437 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -1.2144 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9767 -1.6500 1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -2.4700 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 1 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 6 10 19 1 0 10 16 1 0 16 20 1 0 16 21 1 0 17 2 1 0 17 22 1 0 17 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.3649 -1.0514 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 0.1903 -0.5449 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 -0.0313 -0.1827 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -0.9141 0.1425 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0332 -1.0588 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.9802 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 -1.4850 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 0.5831 0.1898 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6023 -1.2625 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -0.6633 1.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -2.5486 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -1.3580 -1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 1.2351 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 1.0256 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 0.6057 1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8357 -0.5401 0.8425 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 2.3172 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 0.8599 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 1.0885 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5437 2.0941 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 0.8093 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 1.5096 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 0.5751 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 6 8 14 1 0 15 8 1 0 10 16 1 0 10 15 1 0 13 17 1 0 13 18 1 0 13 19 1 0 14 2 1 0 14 20 1 0 14 21 1 0 15 22 1 0 15 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 1.1346 0.5975 1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 -0.0755 1.1248 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -1.3389 2.5535 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 0.2114 0.0089 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3451 1.6738 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 0.3827 2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 1.2825 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 -1.1420 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4467 0.1064 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 1.0419 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 1.3060 -1.7169 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.5207 -0.0439 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 -1.3392 -0.4366 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -1.9940 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6529 -1.2103 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5461 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -0.4706 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 1.1060 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6367 -0.2580 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 1.0003 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 1.8731 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5798 -2.2136 -2.2147 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -0.2558 -0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 -1.6360 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 -0.0228 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -0.5996 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 19 13 1 0 13 22 1 0 16 2 1 0 16 23 1 0 16 24 1 0 19 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.4896 -0.1329 1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -0.8954 0.9193 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 -1.6222 2.5486 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 0.2322 0.0044 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7566 0.7794 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -0.7261 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 1.0674 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 1.0039 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 -1.0303 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 0.0585 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 1.8260 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4514 1.5886 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 1.3003 -2.0963 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 2.2027 -0.3589 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 0.2822 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 -0.7890 -0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -1.9237 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 -1.1968 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 0.5550 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -0.4930 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.1110 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -0.6019 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 0.9383 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 -2.4034 -0.9400 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 0.7911 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -0.6999 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 15 21 1 0 15 22 1 0 15 23 1 0 16 24 1 0 21 2 1 0 21 25 1 0 21 26 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 0.2292 0.1531 1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5106 0.8151 1.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 1.5866 2.6261 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 -0.0121 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -0.8206 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 0.7349 2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 1.1022 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 -1.0293 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -0.2457 -1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 -0.0513 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 2.0243 -1.1980 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 1.7956 0.8364 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 -1.6767 1.7256 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -0.9262 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 -0.8503 -1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 0.7128 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -0.1930 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 0.0338 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.0362 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -1.1473 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 -1.8848 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 0.6114 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -0.6962 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 8 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 14 19 1 0 14 20 1 0 14 21 1 0 19 2 1 0 19 22 1 0 19 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.5660 -0.2100 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 -0.8631 -0.3248 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -1.3626 -2.1116 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -0.7450 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 1.1690 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4084 -0.3635 -1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -0.1170 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -1.8356 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -0.5457 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 1.9886 0.9279 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 1.9307 -1.1828 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 0.3462 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 0.1668 -1.1371 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -1.4328 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 0.0805 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -0.3425 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 -0.5652 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 0.9543 1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 0.2552 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 0.7181 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 2.1066 -1.4980 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -1.4204 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 0.0874 0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 12 2 1 0 12 19 1 0 12 20 1 0 16 13 1 0 13 21 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 0.7315 0.6899 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 1.1627 -0.0648 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4497 1.7956 -0.8516 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 -0.0493 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.4962 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.0285 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 -0.9005 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 0.6801 0.6227 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.7655 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.3954 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -2.2377 -0.8601 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 -0.5332 -2.0981 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9272 2.4920 0.0341 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 0.1901 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -1.7114 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -0.9882 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 -1.1198 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 -0.1013 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 0.7199 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -0.3957 1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 8 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 14 2 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 1.0846 0.9512 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 0.6412 -0.5585 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 0.2185 -0.1360 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 0.1394 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 2.0199 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.5224 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 -0.7402 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 0.7057 -0.8429 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -0.5378 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.4344 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 -2.0412 0.9050 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -0.3016 1.9919 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 2.4836 -0.3054 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -0.6868 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -1.4937 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 -0.2067 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -1.2396 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 8 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0068 -0.0041 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.5960 0.8904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 -0.3296 2.6000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 -0.6777 0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -0.7264 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 1.0020 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -0.0510 -0.3652 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 -0.3479 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 -1.7725 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -0.6174 -2.1532 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -2.0408 -0.5732 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.2475 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 1.3112 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 1.9062 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 0.6162 0.1991 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 1.1027 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 -0.2142 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 12 2 1 0 12 16 1 0 12 17 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.2012 1.5611 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.7180 0.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.2034 -0.6953 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 0.7818 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.3506 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 2.0934 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 -0.3072 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 0.3284 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 1.4838 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 -1.0733 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 -1.2187 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5898 0.1959 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 -0.4208 -0.0583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -2.1616 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -0.8999 -1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 -2.0953 1.3087 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 -1.9683 -0.5120 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 -0.4043 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 -0.2400 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 1.2831 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 0.8522 -1.0033 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -1.0804 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 0.0181 2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 13 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 18 2 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.6731 1.0715 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.3625 -1.7922 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 1.5014 -2.2883 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -0.1423 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 2.0046 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 1.3037 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 0.1965 1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -1.1482 -0.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 -0.4363 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 0.5527 1.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -0.6466 1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 1.0464 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 -0.6397 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -3.0355 -0.0707 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.0258 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 -1.4735 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 -0.0662 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 0.8720 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 0.1625 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -1.4173 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3581 -0.0425 1.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 17 13 1 0 13 19 1 0 13 20 1 0 21 17 2 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4803 -0.2648 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.0760 -0.9842 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 -2.9169 -0.2738 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 0.8252 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.1955 1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 -0.9115 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.3168 -0.6307 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 0.7373 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 1.8628 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 0.8231 0.9183 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 0.9293 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 -0.6389 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -1.2253 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -1.7669 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 1.4365 0.6606 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.4011 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 1.2341 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -0.2749 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 0.6738 -0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 0.5218 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 -0.8821 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 10 16 1 0 10 17 1 0 16 18 1 0 19 16 2 0 18 2 1 0 18 20 1 0 18 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 0.7417 -0.5416 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 0.1317 -1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -0.5063 -2.4852 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -0.0036 0.2719 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1397 -0.3036 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -1.6306 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 1.3850 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -0.8531 0.8845 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 0.2846 1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 1.3109 -0.7543 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 1.8765 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 2.0580 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 -1.0276 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.6453 1.6466 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 0.0140 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 -0.3253 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 1.3268 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 0.2848 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 2.1700 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -1.6644 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 -1.4901 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 0.7348 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -0.9941 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8436 0.4086 -0.9276 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 1 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 18 13 1 0 13 20 1 0 13 21 1 0 15 2 1 0 15 22 1 0 15 23 1 0 24 18 2 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.1087 -0.3207 0.2446 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0192 -1.2901 0.2784 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9059 -1.5967 2.0717 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -0.4732 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 1.1320 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -0.5818 1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 0.1678 -0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0687 -1.5353 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 0.0010 -1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 1.4127 -0.4797 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 1.8885 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7714 1.3234 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 -0.1472 0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 -1.6582 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.1042 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 -0.2374 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 1.2468 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 0.4465 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 2.3493 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6238 1.1197 1.6744 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 -1.0126 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 0.7782 -1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 -1.2532 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 -1.6552 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 13 20 1 0 18 21 1 0 22 18 2 0 21 2 1 0 21 23 1 0 21 24 1 0 M END $$$$ RDKit 3D 32 34 0 0 0 0 0 0 0 0999 V2000 2.8576 -0.0920 0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 0.0408 -0.5674 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 1.6279 -0.8693 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 -1.0999 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -0.4396 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 0.8648 1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 -0.5898 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 -1.3546 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -2.0463 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 -1.7989 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 0.2545 1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 0.2694 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -1.5483 -0.9047 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -2.9157 -0.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 0.5484 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9254 -0.5804 2.9121 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -0.1607 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 1.3257 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 0.2148 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 -0.6582 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 -2.3920 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 1.7721 -0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 1.5480 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 -1.2248 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 0.3606 -2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -1.2354 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3212 -0.3797 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9039 2.3260 -0.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 2.4772 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 1.5646 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 1.1469 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 2.1744 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 10 2 0 15 11 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 13 20 1 0 13 21 1 0 20 15 1 0 15 22 1 0 23 15 1 0 2 17 1 0 17 24 1 0 17 25 1 0 20 26 1 0 20 27 1 0 22 28 1 0 22 29 1 0 22 30 1 0 28 23 1 0 23 31 1 0 23 32 1 0 M END $$$$ RDKit 3D 32 34 0 0 0 0 0 0 0 0999 V2000 0.4871 0.7668 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -0.3339 0.9587 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.0667 2.9510 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 1.0972 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 2.0449 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.4320 -1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9018 -0.1077 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 1.8945 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 1.5297 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 3.1849 0.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 1.8698 0.2929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -0.5843 -1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 1.3613 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6192 0.1329 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -1.1312 -0.9164 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 0.2696 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 -0.5570 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 0.7548 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 2.7603 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -1.3910 -2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -0.1049 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -2.5999 -1.4978 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4962 -0.5038 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 0.6358 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 1.0463 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -1.7380 1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.4228 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 -2.2044 0.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -1.5205 2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -2.4982 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -0.9550 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -2.0614 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 2 0 5 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 11 18 1 0 11 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 23 2 1 0 23 26 1 0 27 23 1 0 26 28 1 0 26 29 1 0 26 30 1 0 28 27 1 0 27 31 1 0 27 32 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.0399 1.3291 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 0.6576 -1.2519 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 0.3097 -2.1319 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 0.4502 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 2.3627 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 1.3424 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 0.6596 0.5146 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 -0.9342 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 0.6134 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 0.2855 1.8029 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 -0.0546 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 -2.0122 0.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 -0.5476 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -1.1670 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 0.6185 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 -0.9187 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 -1.6468 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -1.3474 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 8 1 0 13 8 1 0 8 14 1 0 13 11 1 0 11 15 1 0 11 16 1 0 12 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.0645 1.2633 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.1289 -0.0853 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 0.7013 -0.8570 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 0.8008 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 1.9865 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 1.7969 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -0.2859 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 0.3955 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 1.6701 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 -0.8402 1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 0.2437 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0226 -1.4122 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 0.1515 1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -2.0530 0.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 -1.0795 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 1.1289 -1.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 -0.6239 -1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 0.7064 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -0.8992 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 -2.1687 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 -1.9315 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 0.5860 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 1.0262 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -0.3208 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 -2.7766 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 3.0835 -1.0126 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 -1.7613 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.5271 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 1.2913 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2706 -0.2808 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 10 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 14 25 1 0 22 16 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 22 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 -0.6255 -0.9817 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.2937 -1.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 -1.4609 -2.8474 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -0.2084 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -1.1672 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -1.9673 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 1.1550 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -0.0621 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -1.0487 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 1.2236 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2898 1.3567 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 1.9968 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 0.9031 2.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 0.2014 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -1.0073 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.1892 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 -0.5823 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.0522 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 0.0188 -0.9459 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 2.1231 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 1.3599 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 1.7779 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 0.6185 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -0.7216 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 0.9580 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -2.0191 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 -1.4829 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 0.1677 -1.5338 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 0.7709 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 1.6132 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 16 9 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 13 22 1 0 14 23 1 0 14 24 1 0 14 25 1 0 19 16 1 0 16 26 1 0 16 27 1 0 19 28 1 0 23 2 1 0 23 29 1 0 23 30 1 0 M END $$$$ RDKit 3D 35 37 0 0 0 0 0 0 0 0999 V2000 2.3361 0.6134 -1.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 2.0527 -1.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 3.2917 -2.7534 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 0.3999 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 0.0952 -2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 0.3757 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 0.0786 -0.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 -0.5819 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 1.9249 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 -1.3938 -0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3885 0.7576 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -1.2403 1.3601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -1.3408 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -0.0320 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 2.1037 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5436 2.5679 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 -2.0260 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.8204 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -1.7197 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.4250 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 0.5766 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 1.8419 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0838 -2.2524 2.6766 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 -3.0453 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 -2.1100 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 0.7066 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 -0.1521 1.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0243 0.4088 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 1.1546 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 -0.4490 1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 -0.3739 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 -0.1692 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6266 0.6284 -1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 -0.8967 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -0.3998 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 10 19 1 0 20 11 1 0 11 21 1 0 11 22 1 0 17 12 1 0 12 23 1 0 17 24 1 0 17 25 1 0 26 20 2 0 20 27 1 0 28 26 1 0 26 29 1 0 27 30 2 0 27 31 1 0 32 28 2 0 28 33 1 0 30 32 1 0 30 34 1 0 32 35 1 0 M END $$$$ RDKit 3D 35 37 0 0 0 0 0 0 0 0999 V2000 -2.9370 -0.5343 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6071 -1.8531 0.4252 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 -3.1611 0.4409 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8221 0.4824 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -0.5923 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -0.1689 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 1.1838 1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 -0.0495 0.0987 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 1.8914 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 2.4928 0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 0.9526 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 1.0200 2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 0.9068 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 -1.2688 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 2.0164 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 2.2327 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 3.9267 1.5248 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 0.3996 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 1.1646 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 1.8413 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -2.3667 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -1.7112 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -1.0203 -1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 0.0167 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 0.3305 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -2.9276 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 -3.0626 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 -0.4373 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 0.0681 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 -0.1237 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 0.6296 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6472 -0.5080 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -0.7347 2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -0.1755 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6617 -0.8606 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 10 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 18 13 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 24 18 2 0 18 25 1 0 21 2 1 0 21 26 1 0 21 27 1 0 28 24 1 0 24 29 1 0 25 30 2 0 25 31 1 0 32 28 2 0 28 33 1 0 30 32 1 0 30 34 1 0 32 35 1 0 M END $$$$ RDKit 3D 34 36 0 0 0 0 0 0 0 0999 V2000 -0.2643 -1.6813 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -1.7901 0.9853 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 -1.4234 2.8914 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 -0.3505 -0.7721 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3992 -2.4975 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -1.9096 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 0.0988 -1.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 0.8040 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 -0.5574 -1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 -0.8524 -3.0989 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 0.0016 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 0.6131 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 1.7461 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.9654 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 -1.3357 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 0.5606 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 1.2999 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 0.3619 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 0.6958 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 -2.1094 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -1.2993 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0323 1.4106 0.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 -0.1593 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 1.1804 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 1.2042 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 2.1849 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 0.1792 1.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8755 0.3100 2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 0.5135 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 0.9091 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7591 0.2524 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 -0.0171 2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 0.5793 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 0.1122 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 11 7 1 0 12 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 17 11 1 0 18 12 2 0 12 19 1 0 2 15 1 0 15 20 1 0 15 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 22 17 1 0 17 25 1 0 17 26 1 0 27 18 1 0 18 28 1 0 19 29 2 0 19 30 1 0 31 27 2 0 27 32 1 0 29 31 1 0 29 33 1 0 31 34 1 0 M END $$$$ RDKit 3D 34 36 0 0 0 0 0 0 0 0999 V2000 -0.2442 -0.4863 -0.2341 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5283 -1.1965 -0.4852 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 -3.1924 -0.3017 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 0.9256 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -1.2134 -0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -0.3264 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 1.5793 -0.9967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 0.8288 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 1.5607 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 -0.4599 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1618 -2.1870 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 -1.4178 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 3.5578 -1.2610 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.1405 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 0.1243 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -0.3342 0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 -0.3687 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 1.3731 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 1.6747 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 0.8301 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 0.0365 -2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 0.3714 1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -0.7903 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4368 -0.9131 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9693 -0.7383 -0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6753 0.9548 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8478 1.2816 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 0.4633 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5526 -1.3515 0.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 -0.1547 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 -1.7267 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 0.1023 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 -1.4505 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5835 1.5031 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 13 1 0 7 14 1 0 15 10 2 0 10 16 1 0 14 17 1 0 14 18 1 0 14 19 1 0 20 15 1 0 15 21 1 0 16 22 2 0 16 23 1 0 17 2 1 0 17 24 1 0 25 17 1 0 26 20 2 0 20 27 1 0 22 26 1 0 22 28 1 0 24 29 1 0 24 30 1 0 24 31 1 0 29 25 1 0 25 32 1 0 25 33 1 0 26 34 1 0 M END $$$$ RDKit 3D 31 33 0 0 0 0 0 0 0 0999 V2000 -0.2069 -0.8874 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 -0.8227 -2.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 0.5792 -3.3499 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 0.0327 -0.3944 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4460 -0.6609 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -1.9344 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 -0.2350 0.7988 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 0.1324 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 1.0541 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 -1.9784 1.7752 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -0.0968 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 1.1804 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -0.7709 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 -0.9386 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 -0.1420 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5144 1.4080 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4238 1.3222 1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 1.8921 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 -0.6268 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -1.6069 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -1.9982 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 -0.7212 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 1.1177 1.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -0.0430 2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 -0.9549 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 1.8596 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 2.0945 0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 0.4187 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 2.1360 1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 -1.3359 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4113 0.5263 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 7 10 1 0 11 7 1 0 12 8 2 0 8 13 1 0 14 11 1 0 11 15 1 0 16 11 1 0 17 12 1 0 12 18 1 0 13 19 2 0 13 20 1 0 2 14 1 0 14 21 1 0 14 22 1 0 15 23 1 0 15 24 1 0 15 25 1 0 23 16 1 0 16 26 1 0 16 27 1 0 28 17 2 0 17 29 1 0 19 28 1 0 19 30 1 0 28 31 1 0 M END $$$$ RDKit 3D 31 33 0 0 0 0 0 0 0 0999 V2000 0.1798 0.3141 -0.2244 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7559 -0.7195 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -2.6059 -0.3965 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 0.6802 -1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0216 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.2371 0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 1.1186 -1.9295 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -0.1870 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 1.4400 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -0.2463 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 0.0194 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 3.0731 -1.7115 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 0.2136 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.5021 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 -0.2714 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.2366 1.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 0.2113 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 -0.2099 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 -0.6806 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 0.6401 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 -0.4959 0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 -0.7104 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 -0.2370 2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 -1.1074 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 0.7639 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 -0.6976 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7226 0.0456 1.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -1.8453 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 -1.5717 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 1.8027 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 0.7433 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 2 0 5 11 1 0 7 12 1 0 7 13 1 0 14 10 1 0 10 15 1 0 11 16 2 0 11 17 1 0 13 18 1 0 13 19 1 0 13 20 1 0 21 14 2 0 14 22 1 0 16 21 1 0 16 23 1 0 18 2 1 0 18 24 1 0 25 18 1 0 21 26 1 0 24 27 1 0 24 28 1 0 24 29 1 0 27 25 1 0 25 30 1 0 25 31 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0703 1.1681 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 -0.2301 0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -0.7396 -0.0842 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.3751 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.8374 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 1.5302 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 0.3605 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 1.2602 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 2.3950 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 0.8226 1.4286 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.9662 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.8320 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 -1.2371 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.1262 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -0.7561 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.4295 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1968 -1.1711 1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.2613 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 13 11 1 0 11 12 1 0 11 14 1 0 12 15 1 0 12 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.5687 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.6465 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.8458 0.5715 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.6781 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -0.5214 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -1.4730 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 1.1766 1.9607 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -0.3359 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.4702 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.8407 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.1308 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.3639 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.4241 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.8207 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 1.7876 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 2 10 1 0 10 14 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.5061 -1.4403 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.4678 0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -0.8196 -1.1416 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -0.7243 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -2.0449 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -2.1512 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -0.2069 2.4141 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7462 0.2921 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.5205 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.4686 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 0.0142 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -1.3209 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 0.0180 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.9622 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 2.0871 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 2.1048 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 1.6313 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 1.1182 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 14 10 1 0 10 15 1 0 10 16 1 0 2 14 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7528 0.6953 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 -0.2471 -0.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2739 -0.8488 0.3975 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2157 -0.2344 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 1.4755 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 1.3610 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 0.6593 2.5810 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -0.8055 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 -1.0029 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.4296 -0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 2.3372 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.8527 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.3316 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -1.5687 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 0.7642 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 0.2381 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -2.2903 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -1.4837 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 10 1 0 13 8 1 0 8 14 1 0 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0517 -0.3502 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 0.8153 0.2927 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 1.2100 0.2888 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -0.6668 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -1.2400 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.1221 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 0.6120 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -1.1460 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -1.2995 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 0.0355 0.4701 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 0.3663 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 1.5619 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -1.7695 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -1.6539 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.8567 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.6535 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 0.2458 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 1.8909 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3457 -0.1379 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.2200 0.8939 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.3658 0.4772 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.1027 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.0917 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.6452 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.0710 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -1.3277 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.6405 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1414 1.6221 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.4879 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -2.1833 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.6099 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 1.1609 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 1.4660 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7295 -0.0373 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 1.3017 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 2.1465 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 8 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 0.4953 0.1585 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 1.4143 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 3.1353 0.5475 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 0.3603 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0434 -0.1327 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 -1.0186 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -0.4526 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 1.3814 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -0.1024 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5888 -0.9838 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 0.6915 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.2910 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -0.7949 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -1.9306 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 0.4410 1.7256 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 -1.5197 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -0.0086 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -1.8401 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.9473 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 1.2187 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 -0.1005 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.1220 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 2.0881 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 1.1116 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 20 1 0 17 21 1 0 17 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.1402 -0.0937 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 0.7024 -0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 2.3530 -1.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.7352 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.5182 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -1.1844 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.2011 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 0.6875 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.7862 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -1.5673 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.0937 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -0.4336 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -1.9853 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -1.6340 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 0.8879 -0.6217 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -1.0699 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 0.6133 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.0983 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.0686 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 1.5607 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.2972 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 2 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.1781 1.1861 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.0263 -1.1171 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 0.2926 -2.9594 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -0.1236 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 1.6459 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 1.9282 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.1456 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -0.8381 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -1.0871 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -0.2885 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 1.1746 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -0.5069 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -0.5308 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -1.9337 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.2810 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 -1.7166 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -1.7704 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 1.5567 -1.2163 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -1.0361 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.4947 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 0.4185 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -0.9462 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1464 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.3363 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1418 0.1325 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 1.1141 0.0731 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 2.6839 -1.1148 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.3082 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -0.0063 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.9875 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -0.4125 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -0.2093 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 1.3499 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -0.7811 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.9070 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 0.0372 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -1.8971 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -1.2609 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 0.5411 0.1102 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -1.4967 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.0708 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -0.0934 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8132 1.2721 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.7138 -0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 1.7653 -0.0384 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.0913 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 1.6583 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 2.0894 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -0.0521 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 0.2691 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -1.1345 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -0.5025 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.8936 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.7923 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 1.3130 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.2038 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.6808 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -1.3551 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 -2.0336 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 0.3293 0.4135 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -1.5865 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -1.2869 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.7671 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4201 1.5773 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 0.6205 -0.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 0.8256 0.1535 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2145 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 1.6158 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 2.5825 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.1474 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 1.1763 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 2.0045 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -0.8245 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -0.0679 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.0554 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.1504 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -1.9202 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -0.5306 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 0.8503 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 -0.9210 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.7608 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -2.1132 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.8900 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 -1.5045 0.9015 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.8312 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -1.5026 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -0.9099 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2419 -0.6663 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -0.7847 0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -0.3023 0.3715 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -0.0886 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.6209 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 0.0322 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.9882 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.9746 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 0.2607 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 0.2397 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.9924 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 2.0100 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.3365 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.8205 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 0.0582 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.2931 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 1.5179 2.3022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 0.2019 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6798 0.5086 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -0.6885 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 -0.3490 -0.7454 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 -0.0996 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 0.6074 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 1.4685 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4546 -1.0061 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 1.1084 -1.0807 S 0 0 0 0 0 6 0 0 0 0 0 0 1.4148 -0.7803 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.1104 1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -1.8491 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -1.4215 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1503 0.5858 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.8049 -2.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 2.4471 -0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -0.2004 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -1.8027 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 -1.2338 2.0276 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 0.6473 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -0.0964 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.4597 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 13 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.5578 -1.0078 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 0.1197 -1.0949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.0026 -1.5932 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -1.0535 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -0.4772 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -1.9748 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 0.1382 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -1.0078 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -1.9876 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 0.7782 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -0.2639 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -1.1255 1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 1.4241 -0.8733 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -0.2636 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 1.3340 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 1.4752 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 1.8277 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 2.0672 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 0 10 15 1 0 10 16 1 0 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.9759 -0.6608 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 -0.6488 -0.8195 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -2.3189 -1.5835 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -1.2532 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 0.8105 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -1.2001 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -0.5082 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -2.3198 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.1987 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 1.6103 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 1.2568 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 0.8684 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 0.1049 1.1403 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 0.6712 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 -1.2073 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 2.1139 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4566 2.4065 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 0.0420 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 1.2360 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.8244 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 -0.6292 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 14 7 1 0 7 15 1 0 10 14 1 0 10 16 1 0 10 17 1 0 14 18 1 0 14 19 1 0 18 2 1 0 18 20 1 0 18 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2679 -0.6946 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.7598 1.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 1.5433 2.0190 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.7669 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -0.8398 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -1.3416 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -2.5450 -0.3272 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.4999 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -0.6440 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 0.4617 -1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 -0.9065 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 -1.7177 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.1975 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 0.3040 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.1229 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 0.2714 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 1.0198 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 2.2759 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3466 0.1667 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 0.7972 -0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2955 0.3117 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.6792 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 0.9653 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.4204 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -0.6497 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 -0.0605 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -1.7168 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.6445 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -1.5169 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.2480 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.3122 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 1.1056 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.8084 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 -0.0172 -0.1816 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.6488 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.3590 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.1891 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 1.2713 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 2.0436 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 10 16 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.3775 1.1784 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 1.0092 -0.7492 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 2.5339 0.0865 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.2265 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 1.0136 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 2.2134 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 0.6129 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0107 -1.0638 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 -0.0511 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 1.8671 -2.0705 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -0.8587 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.2421 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -0.9906 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -2.0049 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.6811 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 -0.7079 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.8904 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -1.4241 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -1.0358 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -0.3190 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.3799 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -1.7733 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 -1.0538 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 -0.4433 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4182 1.2029 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 1.1074 -0.4326 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.2964 -2.0166 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -0.0720 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 1.3754 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 2.0874 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.0785 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -1.0388 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.6924 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 1.8632 1.7799 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 -0.3916 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.9219 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -0.9317 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -2.1018 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 0.3775 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -1.6146 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.9248 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 0.4868 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 -1.0684 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -0.0403 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 1.0798 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.6626 1.2307 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 0.3230 -0.2646 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -0.1671 0.6835 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 1.3585 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 2.2245 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 0.8851 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 0.0108 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 2.1310 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 1.7012 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -0.1958 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -0.1459 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -1.1780 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 2.2418 -1.5270 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -0.8488 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -0.5922 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 0.7994 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -0.7530 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.7994 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 -2.0660 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 -1.4602 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 -1.9418 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 -0.5717 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -0.4989 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.6874 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 14 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0331 0.7500 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 0.0373 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 1.1464 -0.0827 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 0.0211 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.5172 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 1.8405 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 0.6347 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -1.2043 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -0.1839 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 1.9871 1.5644 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 -0.7748 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 1.3248 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.1854 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -2.1781 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 0.5689 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -1.1759 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -1.2944 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.8311 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.3693 1.2141 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.5203 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 1.2290 0.5589 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 -0.1748 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.6931 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 1.9470 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.5990 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.4468 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.7281 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 0.1270 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.6842 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -0.3780 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.2918 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -0.1200 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.5245 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 -1.6386 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -0.8943 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -0.0039 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 1.1945 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -0.2235 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.3708 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 0.0646 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -1.9563 -0.3149 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.7200 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 19 1 0 10 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.3574 -0.1293 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 1.0227 0.2545 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 2.5243 -0.9630 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 0.1670 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -0.8564 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -1.0404 -0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 1.0047 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 0.6510 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -0.7876 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 -0.0177 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 -1.1399 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -1.8037 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 -0.8276 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -2.0953 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.7465 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 0.3355 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 1.1381 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 2.0088 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -0.5857 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 0.8892 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 0.4190 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 -1.6907 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5761 -0.6942 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 1.6200 0.7838 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -0.5887 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 0.1342 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 1.0892 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 16 7 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 21 1 0 13 22 1 0 13 23 1 0 16 24 1 0 16 25 1 0 21 2 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4225 0.9675 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 0.3264 -0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 1.1445 -1.8532 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 0.1960 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 2.0466 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 0.8558 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.0196 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 0.9524 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -1.1252 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 -0.3750 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 0.9038 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -0.8096 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 0.2451 -0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.9610 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 1.9969 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -1.0922 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 -2.0123 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -1.1821 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 0.3267 1.5547 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2238 -1.4646 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 0.9361 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -0.5562 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -1.5472 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -1.6747 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 13 1 0 10 20 1 0 13 21 1 0 13 22 1 0 16 2 1 0 16 23 1 0 16 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1207 0.7080 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 0.4076 -0.7968 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 1.6927 0.3302 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -0.2222 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.4831 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 1.7694 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 0.5539 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -1.0615 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -1.1434 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 1.3913 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.2169 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -0.1544 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -0.2304 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -1.5690 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -1.8601 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.9882 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.8220 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -2.1897 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 0.6095 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 2.2234 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 1.8530 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.8921 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 0.4490 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.2847 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.6389 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -0.6277 1.3710 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 1.3266 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 19 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.0485 -0.6775 -0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8182 0.0407 0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 1.6259 -0.6348 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.0280 -1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -1.6990 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 -0.8049 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.2117 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.9267 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 -0.6614 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 1.0388 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.1273 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 0.9535 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -0.0028 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.6841 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.6943 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -1.0077 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -1.9771 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.3422 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 0.2743 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 1.0219 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.9871 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8076 -0.6360 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 -0.4805 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.9747 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 -0.6424 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.8544 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.6956 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 16 1 0 13 23 1 0 16 24 1 0 16 25 1 0 2 19 1 0 19 26 1 0 19 27 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.0494 1.2594 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 0.1469 -0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 0.6239 -1.0607 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 0.9128 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 2.1420 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 1.5518 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 -0.3803 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.7924 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 1.7706 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -0.8131 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -0.1959 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -1.4906 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 0.1249 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.8220 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 -0.8832 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.7359 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 -1.1753 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 0.1810 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.0788 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.4031 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -1.7595 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 0.2829 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 1.0985 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -0.2800 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 0.7518 -2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.7628 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -1.9075 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -0.9638 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 1.6995 0.0971 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 -0.6840 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 22 13 1 0 13 23 1 0 13 24 1 0 16 22 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 22 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.5403 0.9733 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -0.1278 -0.1132 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 0.4489 -0.8876 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 0.0817 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.2155 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 1.9100 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -0.8368 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 0.7918 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 -0.5587 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.9032 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -1.8185 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.3676 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 0.4710 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 0.3998 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 1.8732 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -0.0886 -2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -1.6422 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 -2.4891 -0.8168 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 -1.0660 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 1.2085 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.5249 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 13 1 0 10 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1598 0.4573 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -0.5415 -1.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -0.1746 -2.3669 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.0233 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 0.4779 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 1.4608 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 1.0905 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.2347 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 -0.4753 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 1.4372 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.7469 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 1.9944 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.8478 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.0070 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -1.7054 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 -0.7554 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -1.3593 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.3188 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 2.8275 -1.3646 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.2010 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 1.9811 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -1.7411 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 -0.4862 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.0707 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.7817 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -0.2652 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.4759 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 20 13 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 20 26 1 0 20 27 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3593 1.0240 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -0.0153 0.6021 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 0.6669 0.0008 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.1166 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 1.9889 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 1.2090 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 0.6841 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 -0.8059 1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.5218 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 2.3981 0.2093 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 -0.4899 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 0.9604 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 -1.1261 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4545 -1.6140 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -0.1116 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -1.2139 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -0.2308 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -2.2119 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -0.7068 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7170 0.5691 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.6513 0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -1.0278 -0.0165 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.2088 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 0.8620 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 1.4543 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -0.1427 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 0.0661 -1.4876 S 0 0 0 0 0 6 0 0 0 0 0 0 1.2784 -1.4634 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2964 3.1209 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 0.9263 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.1052 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.5572 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -1.1938 -2.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 1.2214 -2.2009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -1.8167 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -2.3224 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.9713 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 1.9206 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 1.3910 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 -0.3035 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.5789 -0.5669 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -0.6561 0.3529 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -0.2072 0.2281 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.0102 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 0.1191 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.5338 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.9082 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 1.5436 -0.9173 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 0.4060 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 -2.4049 1.6482 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 0.0521 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -1.4048 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 1.1085 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 0.2661 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 1.4317 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 -0.4622 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 0.5285 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 0.7080 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 1.9907 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 30 32 0 0 0 0 0 0 0 0999 V2000 -2.7241 -0.7926 -1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7908 0.1982 -1.3205 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 1.1406 -2.8848 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -0.3187 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -0.5967 -2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0634 -1.8336 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -1.2213 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -0.4247 -0.4645 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 0.9809 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 -0.1992 2.9497 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -1.5096 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7871 -2.0938 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 0.7558 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 1.4678 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.7385 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4446 -2.5024 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -1.4063 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 0.5568 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 1.6083 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 1.0640 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.2406 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 0.7048 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 0.0696 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 0.1199 -1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 0.5336 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 0.9522 2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 0.2161 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 -0.1792 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 0.6480 2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 0.0824 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 13 20 1 0 18 21 2 0 22 18 1 0 21 23 1 0 21 24 1 0 25 22 2 0 22 26 1 0 23 27 2 0 23 28 1 0 27 25 1 0 25 29 1 0 27 30 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.0226 -0.8409 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 0.1744 0.4894 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 -0.3496 -0.8854 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0675 0.0057 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -1.8520 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 -0.9380 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 0.1680 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.4834 -1.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.1376 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2934 2.3942 0.2853 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -0.6786 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 -0.2782 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 1.8940 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 1.6681 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 -1.7383 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 -0.2830 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 2 9 1 0 9 13 1 0 9 14 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.1444 0.1826 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -0.2115 0.1799 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 0.8943 0.8025 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 0.9025 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 0.8014 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.7275 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -0.0074 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 1.8147 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 1.2147 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 0.8172 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -0.7590 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -1.0314 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -0.0585 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 1.7701 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 1.0564 1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 -0.6351 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -0.4817 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -1.3078 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.9680 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 0.9960 0.4633 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 -0.8699 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 0.0164 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 -1.6187 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 -1.2141 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 0.4243 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 17 12 1 0 12 18 1 0 12 19 1 0 13 20 1 0 13 16 1 0 13 21 1 0 16 22 1 0 16 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3794 0.2510 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 -0.1510 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 1.3822 -0.5286 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.0701 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 1.2887 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -0.3896 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.9987 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 1.0812 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -0.7309 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -0.0565 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -1.6989 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -1.5926 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 1.0161 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 -0.4410 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -1.8282 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 0.7865 2.2749 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.5677 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 2.0062 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 0.7132 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6671 1.1616 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -0.0418 0.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -0.2981 -1.5502 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 0.2933 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 1.8910 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.7092 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 0.4130 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.2601 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -0.9204 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 2.4336 1.3396 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 -0.5670 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 0.1684 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -0.6414 -0.9228 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.6108 1.2625 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2492 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -1.3725 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.7441 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -1.5736 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.3018 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -2.0199 -1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 0.1371 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 2 0 13 21 2 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.6303 -0.8671 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 0.2657 0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 -0.2307 -0.4729 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -0.0342 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 -1.1406 1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -1.7880 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.7170 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 0.9420 1.6044 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 0.8069 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 0.2725 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -1.6592 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 -0.9658 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 0.6698 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 0.5253 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 1.8958 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.5931 -1.4128 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 1.1619 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -0.1237 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 1.5795 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2083 -1.2596 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -0.2010 -0.6165 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 0.0145 0.6744 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1204 -0.2016 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -1.9355 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.8904 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 -0.2529 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.0289 1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 0.8311 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -2.1475 -0.4309 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 0.9130 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.1539 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 1.0779 1.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 0.5241 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.9083 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.7118 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.2125 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.7914 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 1.8456 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.6633 1.1969 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 0.2508 0.8408 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 0.6988 -0.1788 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 0.6814 -0.6225 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0238 1.1815 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 2.2370 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 0.4560 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 -0.8463 -0.5057 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3139 1.1002 -1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 1.9554 0.5105 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -0.9081 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 0.3475 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 -1.0688 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.3479 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -1.7322 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -0.9050 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -1.7801 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.5171 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 6 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 6 11 15 1 0 11 16 1 0 13 2 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.1362 -0.2994 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 0.8324 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 1.2337 -0.0264 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -0.6302 0.9510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7168 -1.1965 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -0.0262 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 0.6275 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -1.1715 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -1.2311 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 0.0410 0.7669 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 0.3241 -0.8961 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0784 1.5992 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -1.6900 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -1.8103 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 0.8154 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 0.5727 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 0.1759 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.8332 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.6006 -1.1927 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -0.3055 0.6573 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -1.0379 0.5233 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -0.2548 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -1.6965 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -1.9441 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 -0.7869 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 1.1250 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 0.7410 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 0.5773 -1.6228 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.2027 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -1.6262 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 1.0240 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 1.8604 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 0.6013 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 1.1913 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 1.1108 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.8162 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 9 1 0 8 14 1 0 9 15 1 0 9 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.3397 -0.7946 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8969 -0.2019 0.4413 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 1.0085 0.1058 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9742 -1.4305 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 -0.0440 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -1.5656 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 -0.3403 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -2.1724 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 -1.9808 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -0.9291 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 0.1445 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 0.8167 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -0.1066 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.7152 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 -2.0110 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 1.1781 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9178 -0.4903 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 0.3237 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 1.2487 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 1.6278 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 1.1593 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 -0.7331 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.4864 2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 1.1209 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 0.6189 1.3312 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 1.7566 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 1.7875 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 21 13 1 0 13 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 21 25 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7231 1.0740 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.1503 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.8078 0.5386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.0845 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 1.3190 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.0240 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -0.6108 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 0.5790 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -0.6806 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 0.3160 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -1.6798 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -0.4820 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.6229 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -0.0431 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -1.7618 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -0.5294 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.1650 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 1.2347 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 -1.9404 -0.4779 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.3326 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 0.6290 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 18 1 0 17 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.8092 1.0705 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.0674 0.9104 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 0.2096 1.9911 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 0.5634 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7001 1.1083 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 2.0751 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 1.1070 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 -0.9539 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 0.7908 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.1053 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 2.1256 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 1.1337 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 -1.2257 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -1.2170 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 -1.5387 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 0.1465 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 0.2591 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.5273 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -2.0322 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -1.5014 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.0277 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 1.8871 1.8452 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -0.7386 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 0.1131 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 16 10 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.2897 -1.2121 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 -0.1781 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 0.3205 0.9140 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.6457 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 -1.9363 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -1.7978 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 0.0275 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 0.0728 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 -1.4581 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -0.9609 -0.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.0801 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 0.5813 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1112 -0.4072 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 1.0589 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 2.0692 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 0.7777 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.9747 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 1.4498 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -0.1662 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 -1.2365 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 -0.4996 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 1.6690 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4633 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 1.7582 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 1.4159 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -0.8774 0.0152 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 -1.0406 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -2.3025 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 11 1 0 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 13 1 0 13 14 1 0 13 21 1 0 14 22 1 0 14 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 20 26 1 0 20 27 1 0 20 28 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.5404 1.7146 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 1.6594 1.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 2.6514 0.1866 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 0.5249 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 1.6215 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 2.6654 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 -0.0041 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -0.4404 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 0.8771 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -0.7858 0.7899 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -0.7917 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 0.8035 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 0.2202 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 -1.2054 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -1.9526 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 -0.1236 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 -0.0173 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 -1.3014 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.1467 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -2.5453 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 -2.4236 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 15 8 1 0 2 13 1 0 13 16 1 0 13 17 1 0 14 15 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.0437 -0.2619 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.7270 0.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -2.6932 -1.2103 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 0.4078 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 0.0866 1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 0.0470 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 1.9278 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.0340 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 0.0275 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 3.0878 1.0200 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 2.0850 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 2.3518 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -1.5684 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.4406 -1.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8141 0.4594 1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -2.1623 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -1.8900 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 -1.9717 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 0.7220 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 1.2081 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -1.8710 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -3.2573 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.2042 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 1.4629 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.2688 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 1.0579 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 15 8 1 0 16 13 1 0 13 17 1 0 13 18 1 0 14 19 1 0 20 15 1 0 2 16 1 0 16 21 1 0 16 22 1 0 19 20 1 0 19 23 1 0 19 24 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -0.8752 0.6905 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 0.0742 1.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 0.8790 3.2485 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 0.0187 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0201 1.7591 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 0.6094 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 0.7482 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 -1.3150 0.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.0713 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 0.0969 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 1.8331 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 0.5582 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 -1.3455 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 -0.6993 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -0.6800 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 0.9298 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 0.2880 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.5150 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -1.9193 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -1.8698 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 0.0402 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -0.6786 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -1.7547 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -0.4069 1.2684 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -0.2277 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 1.3534 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 1.0564 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 -0.4822 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 9 14 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 13 1 0 10 18 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 17 24 1 0 17 25 1 0 17 26 1 0 21 2 1 0 21 27 1 0 21 28 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.8969 -0.9864 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -0.0550 0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 1.2474 1.6304 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -0.2158 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -1.0512 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -2.0118 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.6430 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -1.0380 -1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 0.5062 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -0.2335 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.5913 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 0.8649 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 -0.8450 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 1.5980 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 0.1460 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 0.4161 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -1.0553 1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7695 -1.8095 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -0.1907 -1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 2.0743 -0.6022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 0.7488 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 -0.3439 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 16 20 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5538 0.0948 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 0.3427 0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 1.8796 -0.1191 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.2040 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -0.7534 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 0.9505 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3816 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.6002 0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 0.5914 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9294 -0.4743 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 0.2426 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 1.4481 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 -1.8560 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 1.6387 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 0.1402 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -0.4675 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -0.1372 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -2.4793 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 -2.3880 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 0.9124 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -1.1969 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -0.8078 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 0.8378 -0.6051 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 1.2637 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 1.6408 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 20 16 1 0 16 21 1 0 16 22 1 0 20 23 1 0 20 24 1 0 20 25 1 0 M END $$$$ RDKit 3D 32 33 0 0 0 0 0 0 0 0999 V2000 0.1899 0.3490 1.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1156 -0.1525 1.7286 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 0.3310 3.7017 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -0.5456 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 1.8156 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 0.3057 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 -0.3437 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 -1.5997 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 -0.3440 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 2.2373 0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 2.5747 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -1.2924 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 -0.5188 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 0.6902 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 1.7562 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 3.2150 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1862 -1.0826 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -1.1251 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 -2.3297 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 0.2705 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 1.9884 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 2.3266 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 -2.4195 -3.1302 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 -0.0493 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.2514 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -0.4086 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.6742 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.8102 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -1.2945 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 0.2620 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 -0.2253 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -1.6549 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 2 0 12 7 1 0 7 13 1 0 7 14 1 0 15 10 1 0 10 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 15 1 0 15 21 1 0 15 22 1 0 17 23 1 0 17 24 1 0 17 25 1 0 2 20 1 0 20 26 1 0 27 20 1 0 26 28 1 0 26 29 1 0 26 30 1 0 28 27 1 0 27 31 1 0 27 32 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -2.5496 -1.3417 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.2027 0.3311 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1146 -0.0102 -0.6491 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -0.9201 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -1.8383 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -2.1076 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 0.0058 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -0.4066 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -1.8084 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 0.8241 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -0.6446 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 0.8210 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 0.5892 0.0362 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.3764 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 1.8769 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 -0.8460 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.5628 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6382 1.0602 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.7823 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 0.2816 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.2939 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 1.6010 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 1.7080 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 0.2160 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 -0.5915 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 1.1436 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 -1.7385 1.2417 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 0.4870 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 0.9521 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 21 13 1 0 2 18 1 0 18 22 1 0 18 23 1 0 24 21 1 0 21 25 1 0 21 26 1 0 24 27 1 0 24 28 1 0 24 29 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3828 0.1195 -0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7968 -0.6182 -1.5038 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -2.6396 -1.4229 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -0.3743 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 0.1571 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5355 1.1464 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 1.0840 1.5042 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4276 -0.5536 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -1.3101 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 0.1756 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -0.7326 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 1.0476 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 1.1167 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -0.0880 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -0.3564 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 1.5614 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 1.7606 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 0.8609 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 -0.7448 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 -0.9062 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.7059 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 10 13 1 0 10 14 1 0 15 10 1 0 13 15 1 0 13 16 1 0 13 17 1 0 14 2 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.9854 -0.2162 0.1731 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0079 -0.3450 1.2904 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 1.1027 2.6294 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 0.7556 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 0.0549 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 -1.2275 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.4574 -1.1860 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6572 0.5965 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 1.7982 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 -0.6232 -0.8048 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0284 1.1282 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -0.3677 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 0.0715 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.8114 0.6872 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4115 -1.4618 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -0.2956 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 1.1474 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -1.7643 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 10 13 1 0 14 10 1 0 10 15 1 6 13 14 1 0 13 16 1 0 13 17 1 0 14 2 1 0 14 18 1 6 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.2435 -0.5752 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 0.5984 -0.2071 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 0.1906 0.8672 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.2999 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -0.8497 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -1.4424 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0248 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -1.1513 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 0.5622 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -1.1787 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.7616 -0.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.6596 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -0.3888 -0.5100 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7993 -2.1600 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.2873 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 1.4509 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 1.3244 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9631 -0.0877 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3593 -0.0759 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.8096 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 2.1934 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2535 2.0376 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 1.1135 -0.8408 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 0.4475 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -1.0083 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 16 12 1 0 12 17 1 0 12 18 1 0 19 13 1 0 13 20 1 6 2 16 1 0 16 21 1 0 16 22 1 0 19 23 1 0 19 24 1 0 19 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.3722 -1.0997 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 -0.1911 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8414 0.4891 0.5016 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -0.4357 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -1.5387 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -1.9531 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 0.0334 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 0.4116 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 -1.1496 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 -1.0430 0.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.1874 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 0.3697 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.5606 0.3188 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0447 0.9563 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 2.1755 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 1.1046 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 0.8481 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.5099 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 1.1373 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.1679 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.8963 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 1.3332 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 1.4495 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 1.1327 -1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 1.7555 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1033 -0.7979 -0.4088 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -2.2507 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -0.7896 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 11 1 0 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 13 1 0 13 14 1 0 13 21 1 1 14 22 1 0 14 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 20 26 1 0 20 27 1 0 20 28 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7920 0.0954 0.1664 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1620 1.4284 -0.0761 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 2.3295 -1.8442 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1936 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.8703 -0.4343 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7670 -0.0520 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 0.9849 0.8106 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -0.0702 -1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -1.2500 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -1.4182 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.1707 -0.4568 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1112 -1.3700 -1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -2.3256 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 -1.3257 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 1.2079 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 -0.1959 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 1.2344 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.9617 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 11 10 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3568 -0.1556 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -0.3227 -0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.5077 -0.1407 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0389 -0.5446 0.7737 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3650 0.8775 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 -0.8199 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 0.4433 0.1498 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1269 -0.4417 -0.7113 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3980 -1.4456 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 0.2024 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 1.4967 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 0.0130 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 -1.2686 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 1.1752 -1.3812 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 0.5957 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -0.8694 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 1.0878 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -0.5311 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 6 10 14 1 0 10 15 1 0 10 16 1 0 2 12 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3856 -1.1119 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.2204 -0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 0.2956 -0.4443 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 -1.1525 0.5225 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8119 -2.1165 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 -0.7060 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -1.5429 2.4064 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4664 0.2056 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -1.9373 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 0.9054 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 1.0228 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 0.2732 -1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.4504 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 1.6061 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 2.1050 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.6751 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 0.8452 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 -0.5971 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4220 -0.2357 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -0.6653 0.2077 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -1.2761 0.3992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 0.4028 -0.9282 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1160 0.5211 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -1.0675 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -0.5702 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 0.8517 0.5467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0872 1.2612 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.1444 0.0378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7938 -1.6086 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 -0.5004 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 0.1196 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.4424 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 1.9362 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 -1.6120 0.4802 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 0.7934 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 0.7295 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 -0.8152 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 0.1481 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 1.2892 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 6 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.5149 -0.8599 -0.6293 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4543 -0.4314 0.4323 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3879 -0.5214 -0.0442 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 -1.3450 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 0.4516 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -1.6035 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3266 -0.0392 0.6866 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4369 -1.8258 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -2.0766 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 1.0275 0.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8318 1.0220 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 0.3282 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 0.3126 0.0990 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 -0.0610 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 0.9025 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 2.0486 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.9494 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 1.7213 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 1 10 15 1 0 10 16 1 6 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.4350 0.8648 0.7526 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5810 0.1263 0.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 1.0979 -0.8061 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 1.3126 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -0.3106 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 1.6522 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -0.0057 -0.7564 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0647 1.8459 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 1.9934 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -1.0532 0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2729 -0.8564 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 -0.0274 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 -0.3317 -2.8282 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 0.0130 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.1119 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -2.0317 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -1.2095 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -1.9681 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 1 10 15 1 0 10 16 1 1 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2320 0.0898 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8144 -0.9520 0.9417 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -1.0701 2.3763 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 1.2555 0.2936 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4452 -0.4371 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 0.3099 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 2.9674 0.1656 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 0.3871 -0.9601 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2889 1.5810 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 -0.2363 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -1.4876 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 0.1395 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -0.7129 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.8797 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 -1.1817 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 0.4361 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -0.3409 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -1.6273 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 10 1 0 13 8 1 0 8 14 1 6 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.9927 -0.1589 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 1.0263 0.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 1.8240 0.3394 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -0.7987 0.8565 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7748 -0.9108 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 0.1316 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 0.1428 0.3670 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4186 -1.3533 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -1.5290 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 2.1399 1.4479 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 0.1282 -0.9796 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4874 -0.3833 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.0603 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 -1.7825 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 0.9347 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 0.2402 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.4654 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 1.9437 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 6 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.7819 -0.5902 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -0.0151 0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.3011 -1.0583 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 0.1191 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7337 -0.2157 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -1.6818 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -0.3906 -0.7656 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5199 0.5918 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 0.9476 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 -2.3275 -0.4938 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -0.0202 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.2534 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 1.6067 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 1.0780 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 1.9456 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 8 1 0 7 11 1 6 8 12 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3679 -0.6868 0.8867 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3910 0.7683 1.1488 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 1.5931 1.8383 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 -0.7977 0.6924 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1489 -0.8102 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.3257 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -2.5929 -0.1558 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 0.4626 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 -0.6885 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.4836 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.8498 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -1.6941 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 1.1950 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 0.2586 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 1.0660 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.2819 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 1.0652 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 2.2713 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.7598 1.1790 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 0.1994 -0.5171 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 -0.4259 0.2892 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 1.3958 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 2.1366 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7135 0.8594 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 0.0983 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.7067 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 2.2194 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 0.1762 -0.8107 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3644 0.0288 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -1.1564 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -0.9169 -2.8571 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -0.5523 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 1.2037 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.6226 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 1.0034 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -0.8612 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 -2.0086 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 -1.4707 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -1.6463 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -0.2260 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -0.5287 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 -1.7911 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 6 14 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0739 0.7317 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 0.7465 -0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -0.6805 0.1278 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.1612 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 0.1268 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 1.7421 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 0.6167 0.1301 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3494 -1.2846 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.4765 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 2.2337 -1.3363 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -0.8356 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 0.8485 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 -1.6289 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -2.0395 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 1.3734 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -0.3299 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.9976 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 -1.2605 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 1 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3962 1.2309 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 0.2996 0.3232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 0.5430 -0.3545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 0.0557 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 2.0946 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 1.5944 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.0587 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -0.0755 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -0.8283 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7884 -0.6341 0.6401 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0254 -0.7018 1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 0.9338 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 0.0429 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -1.0599 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 0.6874 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -1.0944 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.7443 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 -0.2374 1.9807 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.7160 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7612 -0.4337 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 1.1020 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 13 1 0 10 19 1 6 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.5320 -0.8001 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 0.5752 -0.8905 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.1175 -1.6129 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3399 -1.0731 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 -1.4875 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -1.0575 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 -0.2550 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 -2.1486 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.8279 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.5706 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -0.6550 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 1.2509 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 0.0218 0.9015 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7046 -0.3060 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -1.6641 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -0.6247 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.6706 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 -0.0054 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 1.5234 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 1.8150 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 1.6864 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 1.7330 2.1471 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 0.3800 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -0.7404 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 -1.6245 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -0.4057 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 1.4808 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 2.5573 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 1.3880 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 0.3874 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 1 23 16 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 23 29 1 0 23 30 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5931 -1.0454 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 0.2114 -0.2987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 1.6758 0.9157 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9123 0.8426 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7209 -1.8583 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -1.2844 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -2.8142 0.8608 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 0.0824 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -0.4727 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.5497 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 1.1234 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 0.1250 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.0304 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 1.6068 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 2.1547 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 1.0229 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 0.4778 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -0.6121 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.8149 -0.7274 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 0.2993 -0.7347 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 2.0740 -0.1490 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 -0.5004 1.0712 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8272 -1.7095 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.7101 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -2.2279 2.1035 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -0.0041 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 0.2999 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 0.3489 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 1.1351 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 -0.6599 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.4257 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 1.2930 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 0.2934 0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 2.0158 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 1.4660 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -1.6882 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0104 -0.5723 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.5480 0.1313 -1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 0.0949 0.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -1.5075 0.2651 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -0.7336 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 1.1737 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -0.1526 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -0.3052 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -0.6378 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -1.7933 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 0.8724 -0.3414 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7384 -1.2183 0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 -0.3709 1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 2.7982 0.9842 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 -0.1186 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 1.1557 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 0.4350 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -1.4162 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -0.0052 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 0.0163 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -0.2627 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.5015 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 0.3429 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 6 14 11 1 0 16 12 1 0 12 17 1 0 12 18 1 0 14 19 1 0 14 20 1 0 2 16 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.1587 0.8923 0.7302 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5561 -0.4475 1.1984 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -1.0671 2.9655 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.9810 -0.5464 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3028 0.6964 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.7176 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 1.7603 -0.1446 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -0.4899 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 1.6113 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.7421 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 1.4124 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 0.7910 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -1.1914 0.0004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0783 -0.9220 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 -0.5907 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -0.7814 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 -1.3550 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 -2.2753 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 6 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 1 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4430 0.0319 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.3831 0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -0.6429 0.3762 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3948 -0.8961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9841 0.9216 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -0.7585 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.7755 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 0.7703 0.5958 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3139 1.2410 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -0.6621 0.0557 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4651 -1.7329 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -0.7531 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -0.1951 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 0.5990 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.8070 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.7327 -0.3825 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -1.6341 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.2810 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -1.0638 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.2596 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.5622 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 1 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1068 0.0590 -0.0918 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8828 -0.9963 -0.7367 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -0.8651 -2.7098 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -0.4985 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 0.7045 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 0.8166 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -0.3220 0.0088 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6155 -1.5268 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 0.1421 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 0.6772 -1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 1.7438 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -0.5292 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 1.1957 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 1.6174 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 0.5853 0.9496 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 -1.2266 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -1.1218 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 -0.4551 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 6 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.6993 1.1393 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 1.4794 -0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 2.4519 0.1224 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 0.0574 -0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2142 0.7323 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 2.0202 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 0.4008 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -1.1004 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.3447 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -0.9803 0.4487 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0406 1.2216 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0924 0.6040 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4948 -0.8575 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 -2.0617 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 0.2237 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 0.1227 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -1.4258 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6087 -1.2259 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -0.9814 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 0.3727 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -0.4655 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 1 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1382 0.1311 0.1211 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1878 1.1258 0.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 2.7249 -1.0260 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 0.2668 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 0.0073 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -0.9804 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -0.4399 0.1771 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7536 -0.2729 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 1.2994 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -0.7459 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 0.9296 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 0.0713 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -1.2775 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -1.8766 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 0.4911 0.0547 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -1.5284 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 0.1043 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -0.0300 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 1 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.6697 1.3531 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 0.9279 -0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 2.1669 0.0903 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 0.0698 -0.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6050 1.7746 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 2.1099 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -0.1407 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 0.0761 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -1.0626 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 -0.7412 -0.1238 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8756 -0.8204 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.7908 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.0743 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.4237 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -0.4438 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -1.3190 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -1.9724 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 -0.1374 0.1663 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -1.8248 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -0.9767 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 -0.4807 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 6 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6453 -1.1275 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -0.0788 0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 0.2023 -1.0102 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.8439 0.3437 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0317 -2.1244 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.0623 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.1717 -0.1425 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5343 0.5621 0.8325 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8874 -1.6194 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 0.0240 0.5989 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 0.5229 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 1.1286 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 0.7604 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 1.7205 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 1.7639 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 8 7 1 0 7 11 1 6 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.1411 -0.3698 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 0.7826 0.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 1.1314 -0.0352 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 -0.6524 0.9338 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6905 -1.2744 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.1410 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 0.6428 0.5970 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7548 -1.1323 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 -1.2712 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 0.1282 0.8264 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 0.3774 -0.8730 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0142 1.5929 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -1.6185 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -1.7760 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 0.8331 -1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 0.6752 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 0.2065 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 1.8654 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 1 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.2631 -0.4287 0.9641 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2769 0.9492 1.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 1.2632 2.2808 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 -0.3923 -0.1987 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6134 -1.1749 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 -0.9278 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 1.2184 -0.1252 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 -0.0796 -1.0157 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7761 -1.3650 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -2.2104 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.1517 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 1.1847 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -0.2330 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 1.2583 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 2.0897 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 6 5 8 1 0 5 10 1 0 5 11 1 0 8 12 1 0 8 13 1 6 12 2 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 32 33 0 0 0 0 0 0 0 0999 V2000 2.8111 1.2312 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 0.6424 -1.5361 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 1.3538 -1.5424 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -0.1639 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 1.6412 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 1.9797 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 -0.5469 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -0.4943 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5455 -0.6921 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -2.8322 1.6681 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -0.3659 0.4469 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 0.1294 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 0.2277 -1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -1.5070 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 -0.9493 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -1.5251 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 -1.0618 1.0243 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.3743 0.1274 0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.0498 2.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 -2.3007 0.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 0.1394 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 1.5341 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6909 -0.3259 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 0.7894 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.5126 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -0.8622 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 1.9061 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 2.2481 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 1.5468 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 -1.3386 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 0.3428 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 -0.3363 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 11 1 0 18 17 1 0 17 19 2 0 17 20 2 0 21 18 1 0 18 22 1 0 18 23 1 0 21 24 1 0 21 25 1 0 21 26 1 0 22 27 1 0 22 28 1 0 22 29 1 0 23 30 1 0 23 31 1 0 23 32 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.5687 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.6465 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.8458 0.5715 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.6781 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -0.5214 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -1.4730 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 1.1766 1.9607 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -0.3359 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.4702 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.8407 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.1308 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.3639 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.4241 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.8207 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 1.7876 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 2 10 1 0 10 14 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0605 0.0880 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 -0.9134 -0.6301 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.6279 -1.1521 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 -0.0259 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 1.0788 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5076 -0.2266 -2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9426 -0.8654 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 1.6909 0.8293 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 -0.5088 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.5922 -0.7302 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 0.0354 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -1.1587 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.5144 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 0.2767 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -1.3412 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 -0.3690 0.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 1.9062 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 2.0389 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 16 2 0 11 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3457 -0.1379 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.2200 0.8939 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.3658 0.4772 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.1027 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.0917 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.6452 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.0710 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -1.3277 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.6405 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1414 1.6221 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.4879 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -2.1833 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.6099 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 1.1609 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 1.4660 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7295 -0.0373 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 1.3017 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 2.1465 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 8 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.1402 -0.0937 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 0.7024 -0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 2.3530 -1.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.7352 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.5182 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -1.1844 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.2011 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 0.6875 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.7862 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -1.5673 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.0937 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -0.4336 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -1.9853 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -1.6340 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 0.8879 -0.6217 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -1.0699 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 0.6133 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.0983 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.0686 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 1.5607 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.2972 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 2 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2679 -0.6946 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.7598 1.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 1.5433 2.0190 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.7669 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -0.8398 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -1.3416 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -2.5450 -0.3272 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.4999 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -0.6440 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 0.4617 -1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 -0.9065 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 -1.7177 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.1975 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 0.3040 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.1229 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 0.2714 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 1.0198 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 2.2759 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3466 0.1667 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 0.7972 -0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2955 0.3117 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.6792 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 0.9653 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.4204 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -0.6497 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 -0.0605 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -1.7168 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.6445 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -1.5169 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.2480 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.3122 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 1.1056 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.8084 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 -0.0172 -0.1816 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.6488 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.3590 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.1891 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 1.2713 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 2.0436 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 10 16 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.6255 -0.9948 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 0.2681 -0.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 1.7575 0.8975 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.9041 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 -1.8069 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -1.2095 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -2.8335 0.8773 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 0.0684 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -0.4609 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 0.5656 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 1.0815 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 0.0652 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.0192 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 1.6188 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 2.1143 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 0.9738 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 0.4078 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 -0.6921 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6671 1.1616 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -0.0418 0.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -0.2981 -1.5502 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 0.2933 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 1.8910 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.7092 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 0.4130 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.2601 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -0.9204 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 2.4336 1.3396 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 -0.5670 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 0.1684 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -0.6414 -0.9228 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.6108 1.2625 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2492 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -1.3725 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.7441 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -1.5736 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.3018 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -2.0199 -1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 0.1371 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 2 0 13 21 2 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2083 -1.2596 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -0.2010 -0.6165 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 0.0145 0.6744 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1204 -0.2016 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -1.9355 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.8904 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 -0.2529 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.0289 1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 0.8311 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -2.1475 -0.4309 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 0.9130 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.1539 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 1.0779 1.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 0.5241 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.9083 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.7118 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.2125 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.7914 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 1.8456 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -1.1777 1.3849 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 0.3710 -0.3253 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 1.1964 0.2261 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 0.7300 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 1.9796 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 2.0794 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 -0.3076 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 1.5014 -1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 0.2542 -2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 0.3071 0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -0.9145 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.3119 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 -0.2340 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -1.6349 -1.5487 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.5724 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 -1.9444 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -1.9807 0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 1.4141 0.0844 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 -0.9376 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 -1.3275 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 -0.0525 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 11 13 1 0 11 14 2 0 15 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 2 15 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7231 1.0740 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.1503 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.8078 0.5386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.0845 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 1.3190 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.0240 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -0.6108 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 0.5790 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -0.6806 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 0.3160 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -1.6798 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -0.4820 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.6229 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -0.0431 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -1.7618 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -0.5294 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.1650 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 1.2347 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 -1.9404 -0.4779 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.3326 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 0.6290 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 18 1 0 17 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.1908 1.4309 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.6491 1.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 0.5886 0.8545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 0.5765 -1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 2.0598 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 2.1313 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.1992 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 1.2217 -1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -0.1327 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 0.0362 -0.4251 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5563 -1.1526 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 -0.6273 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.5091 -1.6719 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -0.1650 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -1.1655 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -2.1327 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.6656 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 0.0761 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.6166 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -1.4160 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.0061 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 11 1 0 10 14 1 1 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.9387 -0.1533 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8138 1.1621 -0.2627 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 2.0258 0.3595 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 -1.0567 -0.2517 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9301 -0.6134 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 -0.0177 -1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -2.6152 -1.5050 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 -0.0428 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 -1.4968 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 1.1040 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 0.4530 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.4853 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 0.8530 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1755 2.0588 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 -0.3970 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 1.5265 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 0.1993 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.4794 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.2310 1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 0.1053 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -1.3613 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.2394 -0.5293 -0.3213 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5974 0.4553 -1.2491 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 2.2783 -1.4530 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 -0.7259 -0.3011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 -0.2751 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -1.5100 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 0.2074 0.7596 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5881 -1.1865 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 0.4995 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -0.4852 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 0.6628 -0.6720 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2199 0.8359 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.4877 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.3026 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.5630 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 1 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 1 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4886 0.0690 -0.2068 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5173 0.5683 -1.2144 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 2.5046 -1.5488 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 1.2145 0.2739 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -0.3325 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -0.8675 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -0.7965 0.4327 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4812 0.5102 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -1.1366 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 0.1725 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7435 -0.1780 -0.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8511 -1.8515 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -0.2190 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 1.1464 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -0.8040 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 6 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.4277 -0.6136 0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4457 0.8582 0.4509 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 1.7189 2.1336 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.3016 -0.5012 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -0.8833 -0.4872 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3015 -1.0877 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 0.3764 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -0.6908 0.4009 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2009 -1.8169 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 1.3081 -0.1504 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7879 0.4591 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 0.4943 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 -1.0827 -0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 0.8270 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -1.2511 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 2.3702 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.0410 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 1.0730 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 1.2834 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 1 2 10 1 0 14 10 1 0 10 16 1 6 13 17 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.5513 -1.2229 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 -0.4410 -1.3553 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -0.4874 -2.9048 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 -0.7047 0.8956 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6060 -1.0873 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -2.2910 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.5187 1.7427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8682 0.6247 0.4419 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0663 -1.4424 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 1.3393 1.9832 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 0.5927 2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 0.8949 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 0.7899 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 1.6059 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.3107 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.5036 -0.5649 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -0.1787 0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 1.5730 -0.1116 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 -0.2335 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -0.0024 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5718 -1.6294 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4778 0.9348 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.1725 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -0.1175 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 0.0912 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 1.1539 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 1.8729 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 -1.8597 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 -1.7672 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 -0.9775 1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 0.7844 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 0.6141 2.6779 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 0.0299 -0.5365 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -1.0065 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 1.3220 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -1.1016 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 -1.9905 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 -0.7943 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 1.6248 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7911 2.1197 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2377 1.2755 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 18 19 1 0 18 20 1 0 19 21 1 0 19 22 1 0 19 23 1 0 20 24 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8307 0.9867 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 1.4737 0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 2.8284 -1.2064 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 2.0739 1.9306 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 0.3834 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -0.5016 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.2906 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.5735 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 -1.4773 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -0.9169 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.8224 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -1.9655 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 -2.2656 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.4472 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 -0.5896 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 -1.5311 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 0.8203 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.1923 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 5 6 1 0 5 7 1 0 5 8 1 0 6 9 1 0 6 10 1 0 9 11 1 0 9 12 1 0 9 13 1 0 11 14 1 0 11 15 1 0 11 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.5687 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.6465 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.8458 0.5715 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.6781 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -0.5214 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -1.4730 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 1.1766 1.9607 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -0.3359 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.4702 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.8407 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.1308 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.3639 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.4241 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.8207 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 1.7876 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 2 10 1 0 10 14 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0517 -0.3502 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 0.8153 0.2927 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 1.2100 0.2888 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -0.6668 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -1.2400 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.1221 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 0.6120 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -1.1460 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -1.2995 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 0.0355 0.4701 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 0.3663 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 1.5619 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -1.7695 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -1.6539 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.8567 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.6535 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 0.2458 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 1.8909 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8132 1.2721 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.7138 -0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 1.7653 -0.0384 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.0913 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 1.6583 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 2.0894 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -0.0521 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 0.2691 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -1.1345 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -0.5025 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.8936 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.7923 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 1.3130 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.2038 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.6808 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -1.3551 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 -2.0336 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 0.3293 0.4135 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -1.5865 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -1.2869 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.7671 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2419 -0.6663 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -0.7847 0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -0.3023 0.3715 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -0.0886 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.6209 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 0.0322 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.9882 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.9746 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 0.2607 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 0.2397 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.9924 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 2.0100 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.3365 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.8205 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 0.0582 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.2931 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 1.5179 2.3022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 0.2019 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 M END $$$$ RDKit 3D 33 35 0 0 0 0 0 0 0 0999 V2000 -3.0314 -0.1207 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 0.7243 -0.0705 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 0.2978 -0.6992 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 -0.0605 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 -1.1352 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 0.3383 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 -1.3054 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 1.0391 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 0.2043 1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 -1.0608 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 -1.3650 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -2.2285 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 0.4051 0.7256 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 1.9046 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 1.4086 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8438 0.9403 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2892 -0.7096 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 -2.0473 1.8999 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.4340 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 0.9307 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 0.5039 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 0.6726 -1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 2.0289 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 -0.3239 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 0.9424 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 -0.7080 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 -0.6775 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 0.5566 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 1.5757 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 -0.2681 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 -1.3527 -2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 0.8948 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8031 -0.5710 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 13 10 1 0 10 19 1 0 13 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 21 24 2 0 25 21 1 0 24 26 1 0 24 27 1 0 28 25 2 0 25 29 1 0 26 30 2 0 26 31 1 0 30 28 1 0 28 32 1 0 30 33 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1598 0.4573 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -0.5415 -1.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -0.1746 -2.3669 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.0233 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 0.4779 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 1.4608 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 1.0905 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.2347 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 -0.4753 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 1.4372 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.7469 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 1.9944 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.8478 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.0070 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -1.7054 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 -0.7554 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -1.3593 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.3188 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 2.8275 -1.3646 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.2010 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 1.9811 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -1.7411 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 -0.4862 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.0707 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.7817 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -0.2652 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.4759 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 20 13 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 20 26 1 0 20 27 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7170 0.5691 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.6513 0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -1.0278 -0.0165 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.2088 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 0.8620 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 1.4543 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -0.1427 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 0.0661 -1.4876 S 0 0 0 0 0 6 0 0 0 0 0 0 1.2784 -1.4634 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2964 3.1209 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 0.9263 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.1052 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.5572 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -1.1938 -2.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 1.2214 -2.2009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -1.8167 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -2.3224 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.9713 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 1.9206 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 1.3910 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 -0.3035 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.5789 -0.5669 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -0.6561 0.3529 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -0.2072 0.2281 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.0102 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 0.1191 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.5338 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.9082 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 1.5436 -0.9173 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 0.4060 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 -2.4049 1.6482 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 0.0521 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -1.4048 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 1.1085 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 0.2661 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 1.4317 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 -0.4622 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 0.5285 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 0.7080 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 1.9907 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6575 1.1718 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 0.0455 -0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -0.7540 0.2930 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 2.7216 0.8048 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3379 0.4855 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.6478 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 0.0770 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -0.8812 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 0.5579 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -0.1132 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 0.5097 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.9908 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 -1.7306 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -2.0045 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 -0.7424 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 5 1 0 5 8 1 0 5 9 1 0 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 0 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.9889 -0.4909 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 0.4578 -0.3908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -0.1472 -1.4437 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.0672 0.9352 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6310 -0.5109 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 -1.5100 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -0.2421 0.0925 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2546 0.9928 -0.1670 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5307 0.4092 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -0.0884 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -1.0539 -0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 0.9966 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 1.9748 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -0.9420 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.6984 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5826 2.0127 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 0.3690 -2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 0.0056 -1.6950 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.8396 -1.0552 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -1.9436 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 10 7 1 0 8 7 1 0 7 11 1 6 12 8 1 0 8 13 1 1 14 10 1 0 10 15 2 0 2 12 1 0 12 16 1 0 12 17 1 0 14 18 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 33 34 0 0 0 0 0 0 0 0999 V2000 -2.6105 1.1822 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.1058 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.7629 0.3895 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2395 0.6638 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 1.9876 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 1.6248 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 0.1145 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 -0.1225 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 1.4635 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -0.9898 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 1.2485 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 -0.4321 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 -1.5069 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 -0.6139 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 -1.8425 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 0.7742 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 2.0306 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 1.7415 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 -0.9396 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 -1.2380 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 0.3548 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.4340 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -2.1569 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 -2.1671 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 1.6133 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8349 0.4998 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 -1.7366 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -1.4276 0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 -0.0812 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.9214 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.8526 -1.4705 I 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 0.5625 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -1.0021 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 22 13 1 0 13 23 1 0 13 24 1 0 16 22 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 29 22 1 0 22 30 1 0 29 31 1 0 29 32 1 0 29 33 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.0311 0.8308 0.8395 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2325 -0.5586 1.3034 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 -1.2563 2.7856 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 0.7343 0.0300 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2832 0.8956 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0338 1.6005 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 2.3131 -1.3174 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -0.6465 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 0.7083 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3304 -0.5065 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 1.0588 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 1.6812 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -1.2043 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0207 -1.2679 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 -0.6177 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -0.4706 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.9999 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.2945 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 1 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.7348 -1.1212 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 0.2127 0.5755 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 0.2665 0.6414 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -0.8310 0.0332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2244 -1.7482 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -1.6398 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 0.2245 0.7045 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6873 0.5472 -0.5172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1284 -1.6390 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.0926 0.4465 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.6125 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 1.0980 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 0.7435 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 2.1379 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 1.0439 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 7 10 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 6 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.1908 1.4309 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.6491 1.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 0.5886 0.8545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 0.5765 -1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 2.0598 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 2.1313 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.1992 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 1.2217 -1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -0.1327 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 0.0362 -0.4251 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5563 -1.1526 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 -0.6273 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.5091 -1.6719 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -0.1650 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -1.1655 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -2.1327 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.6656 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 0.0761 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.6166 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -1.4160 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.0061 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 11 1 0 10 14 1 1 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2687 1.0141 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 0.8134 -0.5046 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 2.2817 0.4372 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 2.7907 -2.0240 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 0.8491 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 -0.3336 -1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 -0.6804 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 1.2405 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 1.1989 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4469 -0.9956 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.2265 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -1.1766 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7046 -1.2822 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 -0.5422 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.9161 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5504 -2.2678 0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 -0.6046 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.1627 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 5 7 1 0 5 8 1 0 5 9 1 0 7 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 12 14 1 0 12 15 1 0 12 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.1077 -0.9198 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -0.8136 -0.4523 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -1.2337 0.3413 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -2.7930 1.5430 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 0.4686 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -0.3398 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 0.9416 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 0.8419 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.6105 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 -0.2932 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 -0.7509 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 0.5564 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 1.9129 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 1.2533 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 0.5589 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 5 7 1 0 5 8 1 0 5 9 1 0 7 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 12 2 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8307 0.9867 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 1.4737 0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 2.8284 -1.2064 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 2.0739 1.9306 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 0.3834 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -0.5016 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.2906 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.5735 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 -1.4773 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -0.9169 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.8224 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -1.9655 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 -2.2656 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.4472 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 -0.5896 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 -1.5311 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 0.8203 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.1923 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 5 6 1 0 5 7 1 0 5 8 1 0 6 9 1 0 6 10 1 0 9 11 1 0 9 12 1 0 9 13 1 0 11 14 1 0 11 15 1 0 11 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.7459 -1.1287 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -0.0685 -0.3808 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 0.5552 -1.6157 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -0.9771 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 -2.1012 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -1.1073 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 -2.6078 -0.9132 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -0.9057 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2587 0.3605 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3213 0.2742 1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1632 -1.8356 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -0.7826 1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 1.5020 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 0.5581 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 0.3388 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 0.9648 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.9936 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 -0.0817 2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 2.2695 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 1.9906 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 1.7888 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 9 4 1 0 8 10 1 0 8 11 1 0 8 12 1 0 13 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 16 13 1 0 13 19 1 0 13 20 1 0 16 2 1 0 16 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.5262 -0.2873 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 -0.8897 -0.8576 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -2.8517 -0.5756 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 0.7695 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6314 -0.4068 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 -0.0737 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 2.6303 -0.5144 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 0.7081 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 -1.1510 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 -0.2701 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -0.0684 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 0.1661 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 1.6929 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -0.6191 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 0.6508 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 5 4 1 0 5 9 1 0 5 10 1 0 8 11 1 0 8 12 1 0 8 13 1 0 11 2 1 0 11 14 1 0 11 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0703 1.1681 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 -0.2301 0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -0.7396 -0.0842 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.3751 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.8374 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 1.5302 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 0.3605 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 1.2602 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 2.3950 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 0.8226 1.4286 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.9662 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.8320 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 -1.2371 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.1262 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -0.7561 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.4295 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1968 -1.1711 1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.2613 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 13 11 1 0 11 12 1 0 11 14 1 0 12 15 1 0 12 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.5000 1.2749 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 0.3474 0.6554 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 0.0788 0.1148 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 0.4266 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 2.1816 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 1.5657 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4653 1.2596 -1.5188 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -0.9301 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 -0.2757 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.8607 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.7454 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 -0.9154 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 0.3641 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -1.0069 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -1.7645 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 11 1 0 8 12 1 0 10 9 1 0 9 13 1 0 9 14 1 0 2 10 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7795 -1.3179 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -0.1813 -0.3277 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 0.0766 0.9689 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -0.8677 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -1.9203 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -1.9907 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9612 -2.5796 1.2599 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 0.4666 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -0.0498 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 1.1240 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 0.7039 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.6268 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.3667 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 0.0987 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 1.0455 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 2.1149 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 1.9535 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 1.0634 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 11 1 0 8 12 1 0 10 9 1 0 9 13 1 0 9 14 1 0 15 10 1 0 10 16 1 0 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.5687 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.6465 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.8458 0.5715 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.6781 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -0.5214 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -1.4730 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 1.1766 1.9607 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -0.3359 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.4702 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.8407 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.1308 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.3639 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.4241 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.8207 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 1.7876 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 2 10 1 0 10 14 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0517 -0.3502 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 0.8153 0.2927 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 1.2100 0.2888 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -0.6668 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -1.2400 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.1221 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 0.6120 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -1.1460 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -1.2995 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 0.0355 0.4701 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 0.3663 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 1.5619 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -1.7695 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -1.6539 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.8567 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.6535 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 0.2458 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 1.8909 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1104 0.7254 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.0222 1.2028 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 0.5710 2.7355 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 0.1304 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 0.6771 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 1.7874 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 0.3524 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -1.0217 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 0.0945 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 0.6444 -1.3748 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6141 0.8705 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -1.7921 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -1.4140 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -0.5982 -1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 1.1205 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 -0.4402 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 0.0187 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.5272 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -1.6659 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -0.5586 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.0481 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 8 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 14 17 1 0 14 18 1 0 14 19 1 0 17 2 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3457 -0.1379 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.2200 0.8939 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.3658 0.4772 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.1027 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.0917 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.6452 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.0710 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -1.3277 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.6405 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1414 1.6221 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.4879 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -2.1833 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.6099 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 1.1609 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 1.4660 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7295 -0.0373 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 1.3017 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 2.1465 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 8 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -2.2103 -0.6694 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 0.3898 0.8667 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 1.9582 0.4047 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -2.2103 0.3507 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 -1.1704 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -0.2900 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 0.0784 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -1.9581 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 -1.5808 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.2183 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 0.7088 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 0.9870 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -0.4311 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 -1.0867 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 0.6441 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.2376 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 1.7779 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 0.4150 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 1.0353 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 2.0128 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -0.1510 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.4878 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -0.2086 -2.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 1.2179 -1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 11 2 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.1402 -0.0937 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 0.7024 -0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 2.3530 -1.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.7352 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.5182 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -1.1844 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.2011 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 0.6875 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.7862 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -1.5673 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.0937 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -0.4336 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -1.9853 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -1.6340 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 0.8879 -0.6217 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -1.0699 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 0.6133 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.0983 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.0686 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 1.5607 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.2972 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 2 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.1781 1.1861 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.0263 -1.1171 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 0.2926 -2.9594 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -0.1236 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 1.6459 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 1.9282 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.1456 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -0.8381 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -1.0871 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -0.2885 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 1.1746 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -0.5069 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -0.5308 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -1.9337 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.2810 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 -1.7166 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -1.7704 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 1.5567 -1.2163 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -1.0361 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.4947 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 0.4185 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -0.9462 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1464 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.3363 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1418 0.1325 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 1.1141 0.0731 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 2.6839 -1.1148 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.3082 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -0.0063 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.9875 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -0.4125 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -0.2093 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 1.3499 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -0.7811 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.9070 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 0.0372 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -1.8971 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -1.2609 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 0.5411 0.1102 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -1.4967 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.0708 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -0.0934 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8132 1.2721 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.7138 -0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 1.7653 -0.0384 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.0913 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 1.6583 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 2.0894 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -0.0521 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 0.2691 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -1.1345 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -0.5025 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.8936 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.7923 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 1.3130 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.2038 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.6808 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -1.3551 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 -2.0336 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 0.3293 0.4135 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -1.5865 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -1.2869 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.7671 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4201 1.5773 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 0.6205 -0.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 0.8256 0.1535 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2145 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 1.6158 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 2.5825 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.1474 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 1.1763 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 2.0045 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -0.8245 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -0.0679 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.0554 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.1504 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -1.9202 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -0.5306 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 0.8503 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 -0.9210 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.7608 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -2.1132 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.8900 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 -1.5045 0.9015 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.8312 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -1.5026 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -0.9099 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2419 -0.6663 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -0.7847 0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -0.3023 0.3715 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -0.0886 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.6209 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 0.0322 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.9882 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.9746 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 0.2607 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 0.2397 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.9924 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 2.0100 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.3365 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.8205 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 0.0582 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.2931 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 1.5179 2.3022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 0.2019 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.5578 -1.0078 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 0.1197 -1.0949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.0026 -1.5932 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -1.0535 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -0.4772 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -1.9748 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 0.1382 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -1.0078 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -1.9876 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 0.7782 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -0.2639 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -1.1255 1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 1.4241 -0.8733 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -0.2636 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 1.3340 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 1.4752 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 1.8277 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 2.0672 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 0 10 15 1 0 10 16 1 0 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4856 0.2277 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 0.8209 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 2.7537 -1.0619 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 1.4012 0.7424 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.4589 0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -0.5799 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -0.9125 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 0.2285 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 -1.3100 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 0.0022 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -0.0634 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -1.9821 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.4440 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 0.8724 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -0.5559 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0947 1.2399 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 0.4438 -1.2199 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 1.2783 -1.7849 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 0.7140 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 1.0321 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 2.3080 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 1.2304 -2.4588 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 -0.8101 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 1.1975 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 -0.4459 1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 1.3547 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 1.6500 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 -1.2640 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -1.0489 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -1.3766 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 -0.5576 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 -0.8140 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 -0.9660 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -2.3335 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -1.2307 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8968 -1.6012 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 18 13 1 0 13 19 1 0 2 18 1 0 18 20 1 0 18 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2390 -0.9013 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 0.3172 1.1767 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 0.0241 2.0650 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -0.6266 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6099 -0.9180 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -1.8220 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -0.0238 2.3832 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 0.4245 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.5414 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.5053 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -1.0376 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 -1.6630 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 0.0554 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 1.4031 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 1.2543 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.8955 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 1.4381 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4941 2.2163 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 10 15 1 0 10 16 1 0 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3466 0.1667 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 0.7972 -0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2955 0.3117 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.6792 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 0.9653 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.4204 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -0.6497 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 -0.0605 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -1.7168 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.6445 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -1.5169 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.2480 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.3122 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 1.1056 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.8084 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 -0.0172 -0.1816 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.6488 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.3590 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.1891 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 1.2713 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 2.0436 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 10 16 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.3775 1.1784 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 1.0092 -0.7492 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 2.5339 0.0865 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.2265 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 1.0136 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 2.2134 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 0.6129 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0107 -1.0638 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 -0.0511 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 1.8671 -2.0705 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -0.8587 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.2421 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -0.9906 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -2.0049 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.6811 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 -0.7079 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.8904 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -1.4241 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -1.0358 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -0.3190 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.3799 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -1.7733 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 -1.0538 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 -0.4433 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4182 1.2029 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 1.1074 -0.4326 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.2964 -2.0166 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -0.0720 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 1.3754 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 2.0874 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.0785 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -1.0388 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.6924 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 1.8632 1.7799 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 -0.3916 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.9219 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -0.9317 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -2.1018 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 0.3775 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -1.6146 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.9248 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 0.4868 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 -1.0684 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -0.0403 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 1.0798 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.6626 1.2307 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 0.3230 -0.2646 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -0.1671 0.6835 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 1.3585 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 2.2245 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 0.8851 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 0.0108 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 2.1310 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 1.7012 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -0.1958 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -0.1459 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -1.1780 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 2.2418 -1.5270 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -0.8488 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -0.5922 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 0.7994 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -0.7530 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.7994 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 -2.0660 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 -1.4602 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 -1.9418 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 -0.5717 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -0.4989 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.6874 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 14 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0331 0.7500 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 0.0373 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 1.1464 -0.0827 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 0.0211 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.5172 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 1.8405 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 0.6347 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -1.2043 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -0.1839 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 1.9871 1.5644 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 -0.7748 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 1.3248 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.1854 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -2.1781 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 0.5689 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -1.1759 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -1.2944 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.8311 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.3693 1.2141 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.5203 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 1.2290 0.5589 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 -0.1748 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.6931 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 1.9470 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.5990 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.4468 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.7281 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 0.1270 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.6842 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -0.3780 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.2918 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -0.1200 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.5245 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 -1.6386 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -0.8943 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -0.0039 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 1.1945 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -0.2235 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.3708 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 0.0646 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -1.9563 -0.3149 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.7200 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 19 1 0 10 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 -0.9009 -1.4214 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 -1.2124 -1.0442 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8157 -2.8860 -1.8214 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 -0.0993 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 -2.1882 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -1.7996 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 -0.2277 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 0.1288 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 1.1192 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 0.5831 1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.0852 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 -1.2780 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 -0.5279 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 1.2030 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 -0.2470 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 0.6948 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6628 1.8838 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 1.6057 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 0.0411 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 0.5374 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 1.6382 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -0.4347 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -1.6048 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -0.3235 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 0.2590 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1053 1.5699 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3518 1.6114 -0.4049 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 -0.7629 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 0.2210 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -0.8825 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 24 1 0 16 25 1 0 16 26 1 0 19 27 1 0 19 28 1 0 24 2 1 0 24 29 1 0 24 30 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1207 0.7080 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 0.4076 -0.7968 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 1.6927 0.3302 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -0.2222 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.4831 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 1.7694 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 0.5539 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -1.0615 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -1.1434 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 1.3913 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.2169 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -0.1544 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -0.2304 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -1.5690 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -1.8601 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.9882 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.8220 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -2.1897 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 0.6095 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 2.2234 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 1.8530 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.8921 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 0.4490 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.2847 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.6389 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -0.6277 1.3710 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 1.3266 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 19 27 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.0494 1.2594 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 0.1469 -0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 0.6239 -1.0607 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 0.9128 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 2.1420 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 1.5518 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 -0.3803 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.7924 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 1.7706 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -0.8131 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -0.1959 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -1.4906 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 0.1249 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.8220 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 -0.8832 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.7359 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 -1.1753 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 0.1810 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.0788 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.4031 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -1.7595 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 0.2829 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 1.0985 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -0.2800 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 0.7518 -2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.7628 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -1.9075 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -0.9638 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 1.6995 0.0971 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 -0.6840 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 22 13 1 0 13 23 1 0 13 24 1 0 16 22 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 22 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1598 0.4573 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -0.5415 -1.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -0.1746 -2.3669 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.0233 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 0.4779 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 1.4608 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 1.0905 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.2347 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 -0.4753 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 1.4372 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.7469 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 1.9944 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.8478 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.0070 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -1.7054 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 -0.7554 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -1.3593 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.3188 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 2.8275 -1.3646 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.2010 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 1.9811 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -1.7411 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 -0.4862 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.0707 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.7817 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -0.2652 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.4759 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 20 13 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 20 26 1 0 20 27 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.6699 -1.3891 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -0.1570 -0.6865 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -0.1373 0.1796 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -1.3504 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3109 -2.2682 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 -1.5513 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.2162 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -2.3213 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 -1.2095 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 -0.8026 -1.1950 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 1.0729 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 -0.0465 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 1.7145 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 1.0896 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 1.7637 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5827 1.2280 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 2.7974 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 1.7835 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 14 13 1 0 13 16 1 0 13 17 1 0 2 14 1 0 14 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7170 0.5691 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.6513 0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -1.0278 -0.0165 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.2088 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 0.8620 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 1.4543 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -0.1427 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 0.0661 -1.4876 S 0 0 0 0 0 6 0 0 0 0 0 0 1.2784 -1.4634 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2964 3.1209 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 0.9263 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.1052 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.5572 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -1.1938 -2.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 1.2214 -2.2009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -1.8167 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -2.3224 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.9713 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 1.9206 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 1.3910 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 -0.3035 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3794 0.2510 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 -0.1510 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 1.3822 -0.5286 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.0701 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 1.2887 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -0.3896 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.9987 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 1.0812 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -0.7309 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -0.0565 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -1.6989 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -1.5926 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 1.0161 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 -0.4410 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -1.8282 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 0.7865 2.2749 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.5677 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 2.0062 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 0.7132 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6671 1.1616 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -0.0418 0.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -0.2981 -1.5502 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 0.2933 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 1.8910 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.7092 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 0.4130 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.2601 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -0.9204 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 2.4336 1.3396 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 -0.5670 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 0.1684 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -0.6414 -0.9228 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.6108 1.2625 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2492 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -1.3725 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.7441 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -1.5736 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.3018 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -2.0199 -1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 0.1371 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 2 0 13 21 2 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4430 0.0319 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.3831 0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -0.6429 0.3762 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3948 -0.8961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9841 0.9216 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -0.7585 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.7755 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 0.7703 0.5958 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3139 1.2410 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -0.6621 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -1.7329 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -0.7531 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -0.1951 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 0.5990 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.8070 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.7327 -0.3825 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -1.6341 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.2810 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -1.0638 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.2596 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.5622 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4253 -0.0164 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 -1.0566 -1.1824 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.8747 -1.5002 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 0.9879 -2.5432 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 0.9756 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 -0.4492 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 0.1798 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 1.4836 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 1.8219 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 -1.0350 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.1538 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 0.8123 2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 0.2862 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0883 2.1031 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 2.1264 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -1.0321 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -1.9585 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -1.0044 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 0.3461 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 0.3216 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -1.8638 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 5 1 0 5 8 1 0 5 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 2 16 1 0 16 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6575 1.1718 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 0.0455 -0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -0.7540 0.2930 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 2.7216 0.8048 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3379 0.4855 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.6478 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 0.0770 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -0.8812 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 0.5579 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -0.1132 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 0.5097 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.9908 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 -1.7306 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -2.0045 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 -0.7424 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 5 1 0 5 8 1 0 5 9 1 0 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 0 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7944 -1.1740 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7166 -0.0926 -0.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5866 -0.1941 1.6756 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -3.1171 -0.5690 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -1.1382 0.2348 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5499 -1.0067 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 -0.5535 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0509 0.1973 0.6882 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6219 -1.9626 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -1.0241 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -0.1608 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 1.4372 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 0.2413 1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 1.2009 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 1.8595 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 2.1911 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 2.0374 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 1.2590 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 5 1 0 5 8 1 0 5 9 1 1 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 1 14 12 1 0 12 15 1 0 12 16 1 0 2 14 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 0.6923 -0.4368 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -0.8262 0.2176 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2883 0.4524 0.1093 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 -0.0265 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 0.3401 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -1.2991 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6349 -0.2838 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 1.4265 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 -0.7089 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -1.0724 -1.9047 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 1.1540 0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 -0.8390 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 2.1186 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 1.8343 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -1.6951 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -0.1383 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.2768 -0.9101 -0.4928 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3440 0.1122 -0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -0.4503 -0.0454 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 -0.0870 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -0.7269 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 -1.9038 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 -1.2403 -0.9934 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 0.6646 0.3905 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8902 0.4955 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 -1.3762 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -0.7435 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 1.2439 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 1.2692 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 2.1233 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 1.5295 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 4 7 1 0 8 4 1 0 4 9 1 0 5 8 1 0 5 10 1 0 5 11 1 0 8 12 1 0 8 13 1 1 12 2 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7231 1.0740 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.1503 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.8078 0.5386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.0845 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 1.3190 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.0240 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -0.6108 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 0.5790 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -0.6806 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 0.3160 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -1.6798 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -0.4820 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.6229 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -0.0431 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -1.7618 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -0.5294 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.1650 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 1.2347 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 -1.9404 -0.4779 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.3326 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 0.6290 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 18 1 0 17 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.0060 0.7314 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -0.2593 -1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 0.3612 -0.4286 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 -0.1160 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4104 0.8011 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 1.7557 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 -0.4020 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.4378 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3864 -1.2102 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.0758 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 0.6588 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -1.4023 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 1.3451 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -0.2983 2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -1.6393 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.0492 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -1.5890 -2.4157 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 0.9075 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -0.0365 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6971 0.4037 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 1.6757 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 10 19 1 0 11 20 1 0 11 21 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3068 0.0491 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 -1.0165 -0.6256 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -0.4677 -0.1664 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 0.2548 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 0.9298 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -0.3325 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 0.3503 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 1.4844 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 -1.0240 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 -0.7641 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 1.5907 0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 0.6251 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -1.9137 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 -0.9476 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 -0.1819 0.3074 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -1.6787 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -0.9926 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.5015 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 2.5336 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 11 8 1 0 2 9 1 0 9 13 1 0 9 14 1 0 10 15 1 0 10 16 1 0 10 17 1 0 11 18 1 0 11 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.8969 -0.9864 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -0.0550 0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 1.2474 1.6304 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -0.2158 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -1.0512 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -2.0118 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.6430 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -1.0380 -1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 0.5062 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -0.2335 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.5913 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 0.8649 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 -0.8450 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 1.5980 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 0.1460 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 0.4161 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -1.0553 1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7695 -1.8095 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -0.1907 -1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 2.0743 -0.6022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 0.7488 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 -0.3439 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 16 20 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.8099 -0.6752 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8906 0.3433 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 -0.3130 -0.5470 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 0.0493 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -1.7171 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -0.6629 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 0.2815 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 -0.6342 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 1.1932 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.1951 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -0.6333 1.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3857 1.2872 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 -1.6533 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -0.0595 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0620 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 1.5638 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 1.2328 -2.0340 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -1.1852 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -0.2843 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 10 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5538 0.0948 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 0.3427 0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 1.8796 -0.1191 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.2040 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -0.7534 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 0.9505 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3816 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.6002 0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 0.5914 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9294 -0.4743 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 0.2426 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 1.4481 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 -1.8560 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 1.6387 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 0.1402 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -0.4675 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -0.1372 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -2.4793 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 -2.3880 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 0.9124 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -1.1969 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -0.8078 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 0.8378 -0.6051 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 1.2637 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 1.6408 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 20 16 1 0 16 21 1 0 16 22 1 0 20 23 1 0 20 24 1 0 20 25 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.8327 0.1827 0.1390 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4607 0.4895 0.8237 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -0.0749 2.7786 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 0.7876 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 -1.3295 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 0.6551 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 0.9051 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 1.7912 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 0.1841 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 -1.9511 -0.6494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 -1.9584 -0.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 1.8661 0.8787 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 1.4955 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6001 -0.0768 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -1.5622 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.9398 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 -0.0650 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 -2.1335 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -1.8781 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 0.5170 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 0.8247 -1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 0.8822 -0.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6668 -0.2066 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 1.4099 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 0.3529 -2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 1.8322 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 6 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 2 0 7 12 1 0 7 13 1 0 7 14 1 0 15 10 1 0 10 16 1 0 17 15 1 0 15 18 1 0 15 19 1 0 2 17 1 0 17 20 1 0 21 17 1 0 20 22 1 0 20 23 1 0 20 24 1 0 22 21 1 0 21 25 1 0 21 26 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.5576 1.1266 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 1.7888 0.3139 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 3.7546 0.1849 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 0.2122 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 0.6432 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 1.7580 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 -0.1108 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -1.3527 0.4370 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.8398 1.3400 1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 -0.2065 0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -1.5050 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 0.6145 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1494 -2.3824 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -1.6097 -0.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 -1.5279 1.8747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 2.0476 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 1.0289 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 0.8083 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -1.9377 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 -1.4390 -2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -2.6398 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5638 -3.2901 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 0.1796 -0.6678 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 1.7715 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 0.9276 1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 11 13 1 0 11 19 1 0 11 20 1 0 13 21 1 0 13 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.8581 0.7050 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 1.1436 -0.7839 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 1.3825 -1.3467 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -0.2193 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 1.5010 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 0.1606 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 0.2786 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 -1.6314 0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -0.0776 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 1.4835 -0.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -0.8438 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 0.4279 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -2.3387 0.2563 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.8188 -1.6103 1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 -2.2512 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -0.9124 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 0.0855 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 2.2638 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 -0.8384 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -0.8053 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -3.2105 -0.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 -2.7768 1.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 3.6550 1.4267 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 1.6272 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 2.8015 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 11 13 1 0 11 19 1 0 11 20 1 0 13 21 2 0 13 22 2 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.8976 0.8248 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.8541 -1.5131 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 1.0165 -2.3337 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.1831 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 1.7854 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 0.4076 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 0.4031 -0.1701 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7199 -1.3353 0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 -0.5109 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.0933 1.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -0.7834 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 1.0942 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.1432 0.5361 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.5392 -2.0442 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 -0.9801 1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -1.3377 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 -0.6969 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 2.1592 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -1.0768 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 -0.6144 0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -3.1768 -0.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 -2.4214 1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 2.9737 2.8835 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.7773 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 2.9148 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 6 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 11 13 1 0 11 19 1 0 11 20 1 0 13 21 2 0 13 22 2 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.4587 0.0184 -0.3639 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1342 0.3016 -1.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -0.3552 -2.9716 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 1.2551 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -0.3778 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -0.8643 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 0.7079 -0.5431 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 1.7810 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 1.9769 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -1.2790 1.4105 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 0.0147 2.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -1.5156 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 -1.5230 2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -0.1988 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 -2.3180 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 -1.8459 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 0.9669 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3933 -0.0047 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 0.6657 0.2826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 1.9879 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 0.8584 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 -0.9233 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 0.6709 -1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 2 0 12 10 1 0 10 13 1 0 14 12 1 0 12 15 1 0 12 16 1 0 2 14 1 0 14 17 1 0 18 14 1 0 17 19 1 0 17 20 1 0 17 21 1 0 19 18 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.7973 1.2968 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5016 1.2575 1.5827 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 2.9846 2.3654 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -0.1035 0.2759 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6169 1.4697 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 2.0754 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 -0.1631 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -0.3793 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.8219 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 0.0858 -0.3047 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -1.1396 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 0.5907 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 0.6535 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 -0.9759 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -1.8203 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 0.1958 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 1.3745 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -1.2241 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -0.6643 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 -2.6110 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -2.0813 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 15 8 1 0 2 13 1 0 13 16 1 0 13 17 1 0 14 15 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.6305 -0.8711 -0.3681 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7409 -0.0408 0.8613 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 1.8201 0.6893 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 -1.0756 -1.5666 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -0.3429 -1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -1.8871 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 0.0767 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -1.1229 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 0.5152 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 1.1391 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 0.0375 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 -0.2861 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 1.5518 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 1.8541 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 0.8766 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.8812 1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 -0.5317 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 -0.8316 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 12 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 2.4892 -0.4782 0.0408 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3545 -1.4153 0.2574 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -1.8105 2.1569 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2325 -0.7233 1.1855 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 0.9134 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 -0.6324 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 0.7166 -0.4555 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8385 1.2941 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 1.6375 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 1.3862 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -0.8119 -0.6141 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4074 1.1695 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 0.9186 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 1.1823 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 2.4745 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -1.3502 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -1.0477 -1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.5887 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 1.4249 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 1.1960 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 -1.2897 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -2.4191 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -0.8457 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -0.9008 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 13 1 0 10 14 1 0 10 15 1 0 11 2 1 0 16 11 1 0 11 17 1 6 13 18 1 0 13 19 1 0 13 20 1 0 18 16 1 0 16 21 1 0 16 22 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.0311 0.8308 0.8395 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2325 -0.5586 1.3034 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 -1.2563 2.7856 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 0.7343 0.0300 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2832 0.8956 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0338 1.6005 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 2.3131 -1.3174 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -0.6465 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 0.7083 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3304 -0.5065 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 1.0588 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 1.6812 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -1.2043 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0207 -1.2679 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 -0.6177 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -0.4706 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.9999 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.2945 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 1 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4220 -0.2357 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -0.6653 0.2077 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -1.2761 0.3992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 0.4028 -0.9282 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1160 0.5211 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -1.0675 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -0.5702 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 0.8517 0.5467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0872 1.2612 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.1444 0.0378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7938 -1.6086 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 -0.5004 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 0.1196 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.4424 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 1.9362 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 -1.6120 0.4802 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 0.7934 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 0.7295 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 -0.8152 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 0.1481 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 1.2892 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 6 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4520 0.0894 -0.1097 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4961 0.3836 -1.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 1.8611 -2.4413 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 -1.2645 -0.7798 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.5484 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 1.0110 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 0.0124 0.8219 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9968 -0.2749 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -1.6423 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7037 -0.5472 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 0.6149 -0.5523 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1683 0.5800 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -1.5108 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -0.3533 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2826 1.5890 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 1 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 1 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5674 1.0469 0.1499 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7431 -0.0173 -0.8759 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -1.7229 -0.3327 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 1.6424 1.2400 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 0.5822 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 1.9405 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4481 -0.1526 -0.0128 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1454 1.4334 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -0.0931 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 -0.3116 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -1.2170 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 0.0780 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 0.4464 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 -1.2888 -1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 -1.3891 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 -2.0927 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 0.1301 -1.3219 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 0.9850 0.7234 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 7 5 1 1 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 2 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.3785 0.5769 0.0849 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4878 0.7987 -1.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 2.6664 -1.4179 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -0.4782 -0.7029 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 -0.3152 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 1.4879 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -0.9324 0.3050 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1909 0.3038 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -1.0818 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -0.1425 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -0.1865 -0.9966 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5158 -2.0117 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -0.6907 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 0.7680 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -0.7628 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 6 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5011 0.9913 0.6128 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6710 0.5874 -0.8088 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -1.0861 -1.2023 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 1.1019 1.8135 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 0.0847 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 2.0145 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 -0.0996 -0.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1476 0.5639 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 -0.8796 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 0.4203 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 0.0091 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -1.3036 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 1.4095 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 -0.2115 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 0.1758 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 0.4300 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -2.2559 0.8006 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 -1.9522 -1.3926 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 7 5 1 1 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 2 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4066 -0.0043 -0.8083 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4524 -1.0677 -1.1761 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 -2.8769 -1.4834 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 0.9830 -2.6093 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 0.9922 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2998 -0.4135 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 0.2127 1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 1.4677 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 1.8534 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 -1.0225 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 -0.0968 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.8484 2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 0.2493 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 2.0908 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 2.0982 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -1.0505 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -0.9982 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 -1.9322 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 0.3021 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 0.2625 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.8976 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 2 16 1 0 16 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3311 -0.7310 0.4696 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7389 0.6751 0.6491 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 1.2124 -0.5334 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 -1.4958 2.3950 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -0.7419 -0.5501 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1518 -1.3684 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 -1.2615 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 0.6947 -0.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5996 -1.0135 -1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 0.1460 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 -1.5705 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4449 -2.0615 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 1.4802 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 1.1334 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 0.5193 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 0.2585 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 2.4860 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 1.6387 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 7 5 1 0 5 8 1 0 5 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 10 1 0 8 14 1 6 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6287 1.1803 -0.1619 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4360 0.0306 -0.6645 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 -0.6334 0.4917 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 2.8312 0.6572 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.5382 0.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0906 1.5707 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 0.0482 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -0.8758 0.2841 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2490 0.7024 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 -0.1054 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 0.3928 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 -1.0536 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.6666 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 -2.0620 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -0.8977 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 7 5 1 0 5 8 1 0 5 9 1 1 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.4324 0.1633 -0.5164 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8344 1.3179 0.1779 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 3.0527 -0.7721 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 -0.0744 0.1436 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 -0.9949 -0.0357 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4039 0.2398 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -0.9337 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.4929 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -1.9853 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 0.3526 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -0.8987 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 -1.7993 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 0.8386 0.7504 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7699 -1.1010 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 -0.3917 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 0.1175 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 1.0789 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 1.5106 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 7 5 1 0 5 8 1 0 5 9 1 1 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 1 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.7348 -1.1212 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 0.2127 0.5755 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 0.2665 0.6414 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -0.8310 0.0332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2244 -1.7482 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -1.6398 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 0.2245 0.7045 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6873 0.5472 -0.5172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1284 -1.6390 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.0926 0.4465 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.6125 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 1.0980 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 0.7435 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 2.1379 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 1.0439 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 7 10 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 6 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.3727 -0.3502 1.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9383 -0.9512 0.5954 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 -0.4612 1.7376 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -0.2633 3.0559 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -0.4703 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 0.7604 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 -0.3657 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 -1.1727 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 0.8745 -0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 1.6983 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -0.4680 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 1.0444 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 1.7060 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -0.3832 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 -1.1978 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 1 1 5 1 0 6 1 1 0 5 6 1 0 5 7 1 0 5 8 1 0 6 9 1 0 6 10 1 0 9 11 1 0 9 12 1 0 9 13 1 0 11 2 1 0 11 14 1 0 11 15 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.2035 0.3413 1.0073 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0652 -0.3541 0.7321 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -0.3772 1.9769 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 2.1863 2.0605 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5009 -0.4033 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9643 0.3883 -0.3035 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4630 -1.4861 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 -0.0300 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -0.2126 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 1.2844 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -0.2070 -0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -1.2354 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.3712 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8323 0.7511 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 -1.0169 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 1 1 5 1 0 6 1 1 0 5 6 1 0 5 7 1 0 5 8 1 0 6 9 1 0 6 10 1 6 9 11 1 0 9 12 1 0 9 13 1 0 11 2 1 0 11 14 1 0 11 15 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.1908 1.4309 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.6491 1.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 0.5886 0.8545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 0.5765 -1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 2.0598 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 2.1313 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.1992 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 1.2217 -1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -0.1327 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 0.0362 -0.4251 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5563 -1.1526 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 -0.6273 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.5091 -1.6719 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -0.1650 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -1.1655 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -2.1327 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.6656 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 0.0761 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.6166 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -1.4160 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.0061 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 11 1 0 10 14 1 1 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 2 17 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.7819 -0.5902 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -0.0151 0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.3011 -1.0583 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 0.1191 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7337 -0.2157 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -1.6818 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -0.3906 -0.7656 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5199 0.5918 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 0.9476 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 -2.3275 -0.4938 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -0.0202 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.2534 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 1.6067 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 1.0780 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 1.9456 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 8 1 0 7 11 1 6 8 12 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.7396 -0.4655 -0.6539 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8291 0.2802 0.6163 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 2.1565 0.3883 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1164 -2.5562 -0.2098 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -0.2503 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -0.1736 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4693 0.0383 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -1.1049 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 0.6297 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 0.8424 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 0.2349 1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.6229 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 1.1656 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 1.5414 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2396 1.1160 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 -0.6295 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -1.2885 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.9136 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 12 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5931 -1.0454 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 0.2114 -0.2987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 1.6758 0.9157 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9123 0.8426 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7209 -1.8583 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -1.2844 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -2.8142 0.8608 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 0.0824 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -0.4727 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.5497 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 1.1234 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 0.1250 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.0304 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 1.6068 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 2.1547 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 1.0229 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 0.4778 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -0.6121 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.2394 -0.5293 -0.3213 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5974 0.4553 -1.2491 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 2.2783 -1.4530 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 -0.7259 -0.3011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 -0.2751 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -1.5100 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 0.2074 0.7596 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5881 -1.1865 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 0.4995 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -0.4852 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 0.6628 -0.6720 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2199 0.8359 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.4877 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.3026 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 1.5630 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 1 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 1 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4886 0.0690 -0.2068 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5173 0.5683 -1.2144 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 2.5046 -1.5488 I 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 1.2145 0.2739 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -0.3325 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -0.8675 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -0.7965 0.4327 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4812 0.5102 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -1.1366 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 0.1725 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7435 -0.1780 -0.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8511 -1.8515 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -0.2190 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 1.1464 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -0.8040 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 6 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 11 7 1 0 7 12 1 6 10 11 1 0 10 13 1 0 10 14 1 0 11 2 1 0 11 15 1 6 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4161 0.0438 -0.7904 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7370 -1.2657 -0.7633 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.2991 -2.4784 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -0.2303 -0.1477 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 1.0620 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4447 0.4646 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 0.4752 1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 1.3127 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 2.0053 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 -0.8659 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2294 1.1698 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 0.3401 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4339 -0.0269 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 1.9980 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 1.7920 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -1.1744 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 -0.8304 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -1.6652 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 0.0223 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -0.2048 -1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -2.1231 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 7 5 1 0 5 8 1 0 5 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 2 16 1 0 16 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0553 -0.6819 0.7903 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7008 0.6519 0.7622 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 0.9068 -0.4572 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -2.3705 1.0353 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -0.7603 -0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3962 -0.6727 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 -1.2178 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 0.6943 -0.6149 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7187 -1.1270 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.2365 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -1.6038 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.9339 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 1.5215 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 1.0492 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 0.5963 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 0.4383 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 2.4644 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 1.8087 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 10 1 0 8 14 1 6 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.8498 0.8295 0.6079 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4213 -0.0395 -0.4402 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -0.8957 -0.0076 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 2.7825 0.4406 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 0.8538 0.2694 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9787 0.4186 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 -0.2585 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.2721 -0.6637 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0532 1.8211 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 -0.0410 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -0.9628 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -0.9932 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 -0.0868 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -1.9295 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -1.2263 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 6 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 6 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.8228 0.9111 0.5446 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2508 0.0961 -0.6094 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2211 -0.1444 -0.8388 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 2.9755 0.0819 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 0.4798 0.7742 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4005 0.6753 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 0.3548 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 -0.8217 0.0869 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9439 0.6001 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 0.3592 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 0.8162 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -1.1679 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 -1.6476 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -1.9491 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3139 -1.5373 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 1 8 7 1 0 7 10 1 0 7 11 1 0 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3513 -0.4243 0.5823 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1048 1.0225 0.4457 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 2.1461 2.0595 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3409 -0.8492 -0.0489 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -1.0147 -0.3871 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1905 -0.8082 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -0.9822 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 0.1132 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 -1.9911 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 0.5228 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -1.4932 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -1.4462 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 1.1549 -0.3203 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0069 0.3217 -2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.0451 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 0.8675 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 0.7445 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 2.1609 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 6 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3316 0.0890 -0.8125 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2319 -1.1366 0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 -2.8734 -0.9408 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 0.7636 -0.7706 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 1.0530 -0.0451 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0116 -0.0401 -1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 0.7118 -0.3962 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4605 0.5100 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 2.1141 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 -0.6879 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 0.7383 -1.7885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 1.4224 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.9109 0.9389 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4448 0.5977 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 0.9511 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -1.4560 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.6704 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 0.4558 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 -1.6318 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 6 7 5 1 0 5 8 1 0 5 9 1 1 10 7 1 0 7 11 1 0 7 12 1 1 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 11 18 1 0 2 13 1 0 13 19 1 1 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.4277 -0.6136 0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4457 0.8582 0.4509 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 1.7189 2.1336 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.3016 -0.5012 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -0.8833 -0.4872 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3015 -1.0877 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 0.3764 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -0.6908 0.4009 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2009 -1.8169 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 1.3081 -0.1504 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7879 0.4591 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 0.4943 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 -1.0827 -0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 0.8270 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -1.2511 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 2.3702 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.0410 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 1.0730 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 1.2834 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 7 5 1 0 5 8 1 0 5 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 1 2 10 1 0 14 10 1 0 10 16 1 6 13 17 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.5513 -1.2229 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 -0.4410 -1.3553 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -0.4874 -2.9048 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 -0.7047 0.8956 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6060 -1.0873 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -2.2910 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.5187 1.7427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8682 0.6247 0.4419 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0663 -1.4424 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 1.3393 1.9832 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 0.5927 2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 0.8949 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 0.7899 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 1.6059 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.3107 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.5476 0.9380 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 0.8550 -1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 2.1216 -1.5247 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 2.7605 0.6181 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -0.1432 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 0.4101 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -1.1670 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 -0.5478 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 0.1813 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.6490 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -0.0343 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 1.1872 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -2.3058 -1.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 -0.5608 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -0.3962 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 -1.6399 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 -1.0096 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 7 5 1 0 5 8 1 0 5 9 1 0 6 10 1 0 6 11 1 0 6 12 1 0 13 7 2 0 14 7 1 0 10 14 1 0 10 15 1 0 10 16 1 0 14 2 1 0 14 17 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.2000 0.9641 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -0.2921 0.8915 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 -0.3839 -0.0039 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 1.4526 2.4875 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 0.6440 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 1.8148 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 1.3849 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -0.8433 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 0.7875 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 0.4193 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 1.5280 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 2.3477 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -1.4006 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4518 -0.9360 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0839 -1.3264 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2039 0.7020 -0.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5415 -2.2684 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -1.7750 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -1.1078 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 -1.7115 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 5 7 1 0 5 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 16 10 2 0 10 14 1 0 13 2 1 0 13 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0703 1.1681 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 -0.2301 0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -0.7396 -0.0842 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.3751 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.8374 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 1.5302 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 0.3605 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 1.2602 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 2.3950 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 0.8226 1.4286 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.9662 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.8320 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 -1.2371 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.1262 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -0.7561 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.4295 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1968 -1.1711 1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.2613 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 13 11 1 0 11 12 1 0 11 14 1 0 12 15 1 0 12 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.5687 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.6465 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.8458 0.5715 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.6781 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -0.5214 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -1.4730 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 1.1766 1.9607 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -0.3359 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.4702 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.8407 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.1308 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -1.3639 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.4241 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.8207 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 1.7876 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 2 10 1 0 10 14 1 0 10 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.5061 -1.4403 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.4678 0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -0.8196 -1.1416 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -0.7243 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -2.0449 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -2.1512 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -0.2069 2.4141 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7462 0.2921 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.5205 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.4686 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 0.0142 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -1.3209 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 0.0180 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.9622 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 2.0871 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 2.1048 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 1.6313 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 1.1182 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 10 8 1 0 8 9 1 0 8 11 1 0 9 12 1 0 9 13 1 0 14 10 1 0 10 15 1 0 10 16 1 0 2 14 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7528 0.6953 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 -0.2471 -0.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2739 -0.8488 0.3975 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2157 -0.2344 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 1.4755 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 1.3610 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 0.6593 2.5810 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -0.8055 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 -1.0029 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.4296 -0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 2.3372 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.8527 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.3316 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -1.5687 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 0.7642 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 0.2381 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -2.2903 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -1.4837 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 10 1 0 13 8 1 0 8 14 1 0 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0517 -0.3502 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 0.8153 0.2927 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 1.2100 0.2888 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -0.6668 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -1.2400 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.1221 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 0.6120 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -1.1460 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -1.2995 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 0.0355 0.4701 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 0.3663 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 1.5619 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -1.7695 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -1.6539 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.8567 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.6535 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 0.2458 -1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 1.8909 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 0 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3457 -0.1379 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.2200 0.8939 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.3658 0.4772 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.1027 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.0917 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 0.6452 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.0710 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -1.3277 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.6405 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1414 1.6221 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.4879 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -2.1833 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.6099 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 1.1609 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 1.4660 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7295 -0.0373 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 1.3017 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 2.1465 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 8 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 14 2 1 0 14 17 1 0 14 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 0.4953 0.1585 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 1.4143 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 3.1353 0.5475 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 0.3603 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0434 -0.1327 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 -1.0186 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -0.4526 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 1.3814 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -0.1024 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5888 -0.9838 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 0.6915 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.2910 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -0.7949 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -1.9306 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 0.4410 1.7256 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 -1.5197 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 -0.0086 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -1.8401 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.9473 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 1.2187 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3349 -0.1005 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.1220 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 2.0881 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 1.1116 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 20 1 0 17 21 1 0 17 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.1402 -0.0937 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 0.7024 -0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 2.3530 -1.9282 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.7352 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.5182 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -1.1844 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.2011 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 0.6875 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 1.7862 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -1.5673 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.0937 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -0.4336 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -1.9853 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -1.6340 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 0.8879 -0.6217 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -1.0699 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 0.6133 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.0983 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.0686 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 1.5607 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.2972 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 17 2 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.1781 1.1861 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.0263 -1.1171 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 0.2926 -2.9594 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -0.1236 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 1.6459 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 1.9282 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.1456 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -0.8381 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -1.0871 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -0.2885 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 1.1746 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -0.5069 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -0.5308 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -1.9337 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.2810 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 -1.7166 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -1.7704 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 1.5567 -1.2163 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -1.0361 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.4947 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 0.4185 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -0.9462 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1464 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.3363 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1418 0.1325 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 1.1141 0.0731 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 2.6839 -1.1148 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.3082 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -0.0063 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.9875 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -0.4125 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -0.2093 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 1.3499 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -0.7811 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.9070 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 0.0372 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -1.8971 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -1.2609 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 0.5411 0.1102 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -1.4967 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.0708 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -0.0934 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8132 1.2721 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.7138 -0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 1.7653 -0.0384 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.0913 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 1.6583 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 2.0894 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -0.0521 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 0.2691 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -1.1345 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -0.5025 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.8936 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.7923 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 1.3130 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.2038 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.6808 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -1.3551 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 -2.0336 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 0.3293 0.4135 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -1.5865 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -1.2869 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.7671 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4201 1.5773 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 0.6205 -0.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 0.8256 0.1535 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2145 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 1.6158 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 2.5825 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.1474 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 1.1763 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 2.0045 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -0.8245 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -0.0679 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.0554 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.1504 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -1.9202 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -0.5306 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 0.8503 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 -0.9210 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.7608 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -2.1132 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.8900 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 -1.5045 0.9015 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.8312 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -1.5026 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -0.9099 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2419 -0.6663 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -0.7847 0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -0.3023 0.3715 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -0.0886 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.6209 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 0.0322 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.9882 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.9746 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0575 0.2607 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 0.2397 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.9924 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 2.0100 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -1.3365 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.8205 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 0.0582 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.2931 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 1.5179 2.3022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 0.2019 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6798 0.5086 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -0.6885 -0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 -0.3490 -0.7454 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 -0.0996 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 0.6074 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 1.4685 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4546 -1.0061 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 1.1084 -1.0807 S 0 0 0 0 0 6 0 0 0 0 0 0 1.4148 -0.7803 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.1104 1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -1.8491 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -1.4215 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1503 0.5858 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.8049 -2.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 2.4471 -0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -0.2004 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -1.8027 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 -1.2338 2.0276 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 0.6473 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -0.0964 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.4597 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 13 10 1 0 10 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.5578 -1.0078 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 0.1197 -1.0949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.0026 -1.5932 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -1.0535 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -0.4772 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -1.9748 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 0.1382 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 -1.0078 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -1.9876 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 0.7782 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -0.2639 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -1.1255 1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 1.4241 -0.8733 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -0.2636 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 1.3340 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 1.4752 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 1.8277 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 2.0672 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 0 10 15 1 0 10 16 1 0 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.9759 -0.6608 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 -0.6488 -0.8195 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -2.3189 -1.5835 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -1.2532 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 0.8105 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -1.2001 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -0.5082 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -2.3198 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.1987 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 1.6103 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 1.2568 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 0.8684 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 0.1049 1.1403 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 0.6712 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 -1.2073 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 2.1139 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4566 2.4065 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 0.0420 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 1.2360 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.8244 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 -0.6292 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 14 7 1 0 7 15 1 0 10 14 1 0 10 16 1 0 10 17 1 0 14 18 1 0 14 19 1 0 18 2 1 0 18 20 1 0 18 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2679 -0.6946 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 0.7598 1.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 1.5433 2.0190 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.7669 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -0.8398 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -1.3416 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -2.5450 -0.3272 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.4999 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -0.6440 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 0.4617 -1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 -0.9065 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 -1.7177 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.1975 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 0.3040 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.1229 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 0.2714 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 1.0198 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 2.2759 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3466 0.1667 -1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 0.7972 -0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.2955 0.3117 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.6792 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 0.9653 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.4204 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 -0.6497 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 -0.0605 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -1.7168 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.6445 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -1.5169 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.2480 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.3122 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 1.1056 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.8084 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 -0.0172 -0.1816 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -1.6488 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 1.3590 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.1891 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 1.2713 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 2.0436 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 10 16 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.3775 1.1784 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 1.0092 -0.7492 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 2.5339 0.0865 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.2265 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 1.0136 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 2.2134 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 0.6129 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0107 -1.0638 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 -0.0511 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 1.8671 -2.0705 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -0.8587 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.2421 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -0.9906 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -2.0049 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.6811 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 -0.7079 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.8904 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -1.4241 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -1.0358 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -0.3190 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.3799 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -1.7733 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 -1.0538 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 -0.4433 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 20 2 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.4182 1.2029 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 1.1074 -0.4326 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.2964 -2.0166 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -0.0720 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 1.3754 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 2.0874 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.0785 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -1.0388 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.6924 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 1.8632 1.7799 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 -0.3916 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.9219 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -0.9317 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -2.1018 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 0.3775 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -1.6146 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.9248 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 0.4868 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 -1.0684 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -0.0403 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 1.0798 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 11 19 1 0 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.6626 1.2307 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 0.3230 -0.2646 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -0.1671 0.6835 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 1.3585 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 2.2245 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 0.8851 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 0.0108 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 2.1310 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 1.7012 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -0.1958 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -0.1459 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -1.1780 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 2.2418 -1.5270 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -0.8488 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -0.5922 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 0.7994 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -0.7530 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.7994 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 -2.0660 -0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 -1.4602 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 -1.9418 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 -0.5717 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -0.4989 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.6874 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 14 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0331 0.7500 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 0.0373 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 1.1464 -0.0827 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 0.0211 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.5172 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 1.8405 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 0.6347 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -1.2043 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -0.1839 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 1.9871 1.5644 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 -0.7748 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 1.3248 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.1854 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -2.1781 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 0.5689 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -1.1759 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -1.2944 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.8311 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.3693 1.2141 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.5203 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 1.2290 0.5589 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 -0.1748 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.6931 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 1.9470 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.5990 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.4468 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -0.7281 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 0.1270 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.6842 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -0.3780 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.2918 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -0.1200 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.5245 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 -1.6386 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -0.8943 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -0.0039 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 1.1945 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -0.2235 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.3708 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 0.0646 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -1.9563 -0.3149 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.7200 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 18 10 1 0 10 19 1 0 10 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.3574 -0.1293 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 1.0227 0.2545 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 2.5243 -0.9630 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 0.1670 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -0.8564 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -1.0404 -0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 1.0047 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 0.6510 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -0.7876 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 -0.0177 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 -1.1399 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -1.8037 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 -0.8276 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -2.0953 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.7465 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 0.3355 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 1.1381 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 2.0088 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -0.5857 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 0.8892 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 0.4190 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 -1.6907 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5761 -0.6942 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 1.6200 0.7838 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -0.5887 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 0.1342 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 1.0892 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 16 7 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 21 1 0 13 22 1 0 13 23 1 0 16 24 1 0 16 25 1 0 21 2 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.4225 0.9675 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 0.3264 -0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 1.1445 -1.8532 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 0.1960 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 2.0466 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 0.8558 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.0196 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 0.9524 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -1.1252 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 -0.3750 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 0.9038 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -0.8096 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 0.2451 -0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.9610 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 1.9969 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -1.0922 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 -2.0123 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -1.1821 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 0.3267 1.5547 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2238 -1.4646 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 0.9361 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -0.5562 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -1.5472 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -1.6747 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 13 1 0 10 20 1 0 13 21 1 0 13 22 1 0 16 2 1 0 16 23 1 0 16 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1207 0.7080 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 0.4076 -0.7968 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 1.6927 0.3302 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -0.2222 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.4831 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 1.7694 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 0.5539 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -1.0615 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -1.1434 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 1.3913 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.2169 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -0.1544 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -0.2304 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -1.5690 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -1.8601 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -0.9882 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.8220 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -2.1897 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 0.6095 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 2.2234 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 1.8530 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.8921 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 0.4490 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.2847 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.6389 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -0.6277 1.3710 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 1.3266 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 19 10 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 19 27 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.0485 -0.6775 -0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8182 0.0407 0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 1.6259 -0.6348 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.0280 -1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 -1.6990 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 -0.8049 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.2117 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.9267 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 -0.6614 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 1.0388 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.1273 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 0.9535 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -0.0028 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.6841 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.6943 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -1.0077 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -1.9771 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.3422 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 0.2743 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 1.0219 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.9871 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8076 -0.6360 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 -0.4805 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.9747 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 -0.6424 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.8544 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.6956 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 16 1 0 13 23 1 0 16 24 1 0 16 25 1 0 2 19 1 0 19 26 1 0 19 27 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.0494 1.2594 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 0.1469 -0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 0.6239 -1.0607 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 0.9128 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 2.1420 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 1.5518 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 -0.3803 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.7924 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 1.7706 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -0.8131 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -0.1959 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -1.4906 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 0.1249 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.8220 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 -0.8832 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.7359 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 -1.1753 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 0.1810 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.0788 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.4031 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -1.7595 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 0.2829 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 1.0985 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -0.2800 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 0.7518 -2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.7628 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -1.9075 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -0.9638 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 1.6995 0.0971 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 -0.6840 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 22 13 1 0 13 23 1 0 13 24 1 0 16 22 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 22 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.5403 0.9733 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -0.1278 -0.1132 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 0.4489 -0.8876 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 0.0817 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.2155 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 1.9100 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -0.8368 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 0.7918 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 -0.5587 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.9032 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -1.8185 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.3676 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 0.4710 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 0.3998 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 1.8732 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -0.0886 -2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -1.6422 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 -2.4891 -0.8168 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 -1.0660 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 1.2085 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.5249 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 13 1 0 10 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 1.1598 0.4573 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -0.5415 -1.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -0.1746 -2.3669 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.0233 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 0.4779 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 1.4608 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 1.0905 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.2347 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 -0.4753 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 1.4372 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.7469 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 1.9944 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.8478 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -2.0070 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -1.7054 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 -0.7554 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -1.3593 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.3188 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 2.8275 -1.3646 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.2010 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 1.9811 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -1.7411 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 -0.4862 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.0707 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.7817 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -0.2652 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.4759 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 20 13 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 20 26 1 0 20 27 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3593 1.0240 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -0.0153 0.6021 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 0.6669 0.0008 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.1166 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 1.9889 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 1.2090 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 0.6841 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 -0.8059 1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.5218 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 2.3981 0.2093 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 -0.4899 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 0.9604 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 -1.1261 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4545 -1.6140 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -0.1116 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -1.2139 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -0.2308 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -2.2119 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -0.7068 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7170 0.5691 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.6513 0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -1.0278 -0.0165 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.2088 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 0.8620 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 1.4543 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -0.1427 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 0.0661 -1.4876 S 0 0 0 0 0 6 0 0 0 0 0 0 1.2784 -1.4634 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.2964 3.1209 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 0.9263 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.1052 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 0.5572 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -1.1938 -2.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 1.2214 -2.2009 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -1.8167 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -2.3224 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.9713 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 1.9206 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 1.3910 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 -0.3035 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 2 0 8 15 2 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.5789 -0.5669 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -0.6561 0.3529 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -0.2072 0.2281 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.0102 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 0.1191 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.5338 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.9082 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 1.5436 -0.9173 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 0.4060 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 -2.4049 1.6482 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 0.0521 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -1.4048 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 1.1085 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 0.2661 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 1.4317 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 -0.4622 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 0.5285 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 0.7080 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 1.9907 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 30 32 0 0 0 0 0 0 0 0999 V2000 -2.7241 -0.7926 -1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7908 0.1982 -1.3205 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 1.1406 -2.8848 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -0.3187 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -0.5967 -2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0634 -1.8336 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -1.2213 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -0.4247 -0.4645 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 0.9809 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 -0.1992 2.9497 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -1.5096 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7871 -2.0938 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 0.7558 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 1.4678 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.7385 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4446 -2.5024 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -1.4063 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 0.5568 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 1.6083 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 1.0640 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.2406 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 0.7048 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 0.0696 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 0.1199 -1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 0.5336 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 0.9522 2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 0.2161 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 -0.1792 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 0.6480 2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 0.0824 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 11 16 1 0 11 17 1 0 13 18 1 0 13 19 1 0 13 20 1 0 18 21 2 0 22 18 1 0 21 23 1 0 21 24 1 0 25 22 2 0 22 26 1 0 23 27 2 0 23 28 1 0 27 25 1 0 25 29 1 0 27 30 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.0226 -0.8409 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 0.1744 0.4894 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 -0.3496 -0.8854 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0675 0.0057 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -1.8520 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 -0.9380 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 0.1680 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.4834 -1.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.1376 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2934 2.3942 0.2853 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -0.6786 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 -0.2782 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 1.8940 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 1.6681 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 -1.7383 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 -0.2830 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 2 9 1 0 9 13 1 0 9 14 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.1444 0.1826 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -0.2115 0.1799 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 0.8943 0.8025 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 0.9025 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 0.8014 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.7275 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -0.0074 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 1.8147 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 1.2147 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 0.8172 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -0.7590 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -1.0314 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -0.0585 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 1.7701 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 1.0564 1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 -0.6351 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -0.4817 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -1.3078 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.9680 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 0.9960 0.4633 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 -0.8699 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 0.0164 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 -1.6187 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 -1.2141 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 0.4243 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 17 12 1 0 12 18 1 0 12 19 1 0 13 20 1 0 13 16 1 0 13 21 1 0 16 22 1 0 16 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3794 0.2510 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 -0.1510 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 1.3822 -0.5286 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.0701 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 1.2887 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -0.3896 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.9987 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 1.0812 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -0.7309 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -0.0565 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -1.6989 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -1.5926 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 1.0161 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 -0.4410 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -1.8282 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 0.7865 2.2749 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.5677 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 2.0062 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 0.7132 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.6671 1.1616 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -0.0418 0.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -0.2981 -1.5502 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 0.2933 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 1.8910 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 1.7092 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 0.4130 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.2601 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -0.9204 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 2.4336 1.3396 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 -0.5670 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 0.1684 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -0.6414 -0.9228 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.6108 1.2625 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.2492 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -1.3725 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.7441 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -1.5736 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.3018 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -2.0199 -1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 0.1371 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 13 20 2 0 13 21 2 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.6303 -0.8671 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 0.2657 0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 -0.2307 -0.4729 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -0.0342 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 -1.1406 1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 -1.7880 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.7170 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 0.9420 1.6044 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 0.8069 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 0.2725 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -1.6592 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 -0.9658 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 0.6698 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 0.5253 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 1.8958 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.5931 -1.4128 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 1.1619 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -0.1237 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 1.5795 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2083 -1.2596 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -0.2010 -0.6165 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 0.0145 0.6744 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1204 -0.2016 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -1.9355 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.8904 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 -0.2529 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.0289 1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 0.8311 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -2.1475 -0.4309 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 0.9130 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.1539 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 1.0779 1.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 0.5241 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.9083 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.7118 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.2125 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.7914 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 1.8456 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 11 13 1 0 11 18 1 0 11 19 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.6633 1.1969 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 0.2508 0.8408 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 0.6988 -0.1788 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 0.6814 -0.6225 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0238 1.1815 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 2.2370 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 0.4560 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 -0.8463 -0.5057 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3139 1.1002 -1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 1.9554 0.5105 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -0.9081 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 0.3475 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 -1.0688 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.3479 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -1.7322 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -0.9050 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -1.7801 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.5171 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 6 7 10 1 0 7 11 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 6 11 15 1 0 11 16 1 0 13 2 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.1362 -0.2994 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 0.8324 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 1.2337 -0.0264 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -0.6302 0.9510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7168 -1.1965 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -0.0262 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 0.6275 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -1.1715 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -1.2311 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 0.0410 0.7669 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 0.3241 -0.8961 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0784 1.5992 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -1.6900 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -1.8103 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 0.8154 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 0.5727 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 0.1759 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.8332 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 0 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.6006 -1.1927 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -0.3055 0.6573 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -1.0379 0.5233 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -0.2548 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -1.6965 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -1.9441 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 -0.7869 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 1.1250 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 0.7410 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 0.5773 -1.6228 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.2027 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -1.6262 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 1.0240 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 1.8604 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 0.6013 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 1.1913 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 1.1108 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 1.8162 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 9 1 0 8 14 1 0 9 15 1 0 9 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.3397 -0.7946 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8969 -0.2019 0.4413 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 1.0085 0.1058 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9742 -1.4305 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 -0.0440 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -1.5656 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 -0.3403 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -2.1724 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 -1.9808 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -0.9291 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 0.1445 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 0.8167 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -0.1066 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.7152 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 -2.0110 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 1.1781 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9178 -0.4903 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 0.3237 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 1.2487 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 1.6278 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 1.1593 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 -0.7331 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.4864 2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 1.1209 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 0.6189 1.3312 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 1.7566 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 1.7875 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 21 13 1 0 13 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 21 25 1 0 21 26 1 0 21 27 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.7231 1.0740 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.1503 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.8078 0.5386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.0845 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 1.3190 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.0240 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -0.6108 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 0.5790 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -0.6806 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 0.3160 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -1.6798 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -0.4820 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.6229 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -0.0431 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -1.7618 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -0.5294 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.1650 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 1.2347 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 -1.9404 -0.4779 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.3326 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 0.6290 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 18 1 0 17 19 1 0 17 20 1 0 17 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.8092 1.0705 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.0674 0.9104 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 0.2096 1.9911 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 0.5634 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7001 1.1083 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 2.0751 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 1.1070 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 -0.9539 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 0.7908 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.1053 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 2.1256 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 1.1337 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 -1.2257 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -1.2170 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 -1.5387 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 0.1465 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 0.2591 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.5273 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -2.0322 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -1.5014 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.0277 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 1.8871 1.8452 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -0.7386 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 0.1131 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 0 16 10 1 0 13 10 1 0 10 17 1 0 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.2897 -1.2121 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 -0.1781 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 0.3205 0.9140 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.6457 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 -1.9363 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -1.7978 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 0.0275 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 0.0728 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 -1.4581 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -0.9609 -0.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.0801 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 0.5813 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1112 -0.4072 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 1.0589 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 2.0692 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 0.7777 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.9747 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 1.4498 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -0.1662 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 -1.2365 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 -0.4996 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 1.6690 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4633 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 1.7582 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 1.4159 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -0.8774 0.0152 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 -1.0406 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -2.3025 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 11 1 0 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 13 1 0 13 14 1 0 13 21 1 0 14 22 1 0 14 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 20 26 1 0 20 27 1 0 20 28 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 0.5404 1.7146 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 1.6594 1.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 2.6514 0.1866 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 0.5249 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 1.6215 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 2.6654 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 -0.0041 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -0.4404 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 0.8771 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -0.7858 0.7899 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -0.7917 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 0.8035 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 0.2202 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 -1.2054 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -1.9526 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 -0.1236 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 -0.0173 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 -1.3014 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.1467 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -2.5453 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 -2.4236 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 15 8 1 0 2 13 1 0 13 16 1 0 13 17 1 0 14 15 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.0437 -0.2619 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.7270 0.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -2.6932 -1.2103 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 0.4078 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 0.0866 1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 0.0470 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 1.9278 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.0340 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 0.0275 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 3.0878 1.0200 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 2.0850 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 2.3518 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -1.5684 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.4406 -1.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8141 0.4594 1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -2.1623 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -1.8900 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 -1.9717 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 0.7220 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 1.2081 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -1.8710 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -3.2573 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.2042 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 1.4629 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.2688 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 1.0579 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 15 8 1 0 16 13 1 0 13 17 1 0 13 18 1 0 14 19 1 0 20 15 1 0 2 16 1 0 16 21 1 0 16 22 1 0 19 20 1 0 19 23 1 0 19 24 1 0 20 25 1 0 20 26 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -0.8752 0.6905 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 0.0742 1.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 0.8790 3.2485 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 0.0187 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0201 1.7591 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 0.6094 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 0.7482 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 -1.3150 0.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.0713 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 0.0969 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 1.8331 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 0.5582 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 -1.3455 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 -0.6993 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -0.6800 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 0.9298 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 0.2880 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.5150 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -1.9193 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -1.8698 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 0.0402 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -0.6786 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -1.7547 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -0.4069 1.2684 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -0.2277 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 1.3534 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 1.0564 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 -0.4822 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 9 14 1 0 9 15 1 0 9 16 1 0 17 10 1 0 10 13 1 0 10 18 1 0 13 19 1 0 13 20 1 0 14 21 1 0 14 22 1 0 14 23 1 0 17 24 1 0 17 25 1 0 17 26 1 0 21 2 1 0 21 27 1 0 21 28 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.8969 -0.9864 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -0.0550 0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 1.2474 1.6304 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -0.2158 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -1.0512 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -2.0118 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.6430 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -1.0380 -1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 0.5062 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -0.2335 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 1.5913 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 0.8649 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 -0.8450 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 1.5980 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 0.1460 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 0.4161 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -1.0553 1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7695 -1.8095 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -0.1907 -1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 2.0743 -0.6022 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 0.7488 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 -0.3439 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 16 20 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5538 0.0948 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 0.3427 0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 1.8796 -0.1191 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.2040 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -0.7534 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 0.9505 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3816 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.6002 0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 0.5914 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9294 -0.4743 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 0.2426 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 1.4481 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 -1.8560 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 1.6387 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 0.1402 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -0.4675 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -0.1372 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -2.4793 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 -2.3880 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 0.9124 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -1.1969 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4432 -0.8078 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 0.8378 -0.6051 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 1.2637 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 1.6408 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 2 9 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 13 1 0 10 17 1 0 13 18 1 0 13 19 1 0 20 16 1 0 16 21 1 0 16 22 1 0 20 23 1 0 20 24 1 0 20 25 1 0 M END $$$$ RDKit 3D 32 33 0 0 0 0 0 0 0 0999 V2000 0.1899 0.3490 1.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1156 -0.1525 1.7286 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 0.3310 3.7017 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -0.5456 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 1.8156 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 0.3057 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 -0.3437 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 -1.5997 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 -0.3440 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 2.2373 0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 2.5747 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -1.2924 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 -0.5188 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 0.6902 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 1.7562 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 3.2150 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1862 -1.0826 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -1.1251 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 -2.3297 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 0.2705 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0715 1.9884 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 2.3266 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 -2.4195 -3.1302 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 -0.0493 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.2514 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -0.4086 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.6742 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.8102 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -1.2945 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 0.2620 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 -0.2253 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -1.6549 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 2 0 12 7 1 0 7 13 1 0 7 14 1 0 15 10 1 0 10 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 15 1 0 15 21 1 0 15 22 1 0 17 23 1 0 17 24 1 0 17 25 1 0 2 20 1 0 20 26 1 0 27 20 1 0 26 28 1 0 26 29 1 0 26 30 1 0 28 27 1 0 27 31 1 0 27 32 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -2.5496 -1.3417 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.2027 0.3311 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1146 -0.0102 -0.6491 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -0.9201 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -1.8383 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -2.1076 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 0.0058 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -0.4066 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -1.8084 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 0.8241 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -0.6446 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 0.8210 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 0.5892 0.0362 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.3764 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 1.8769 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 -0.8460 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -1.5628 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6382 1.0602 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.7823 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 0.2816 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.2939 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 1.6010 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 1.7080 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 0.2160 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 -0.5915 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 1.1436 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 -1.7385 1.2417 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 0.4870 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 0.9521 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 21 13 1 0 2 18 1 0 18 22 1 0 18 23 1 0 24 21 1 0 21 25 1 0 21 26 1 0 24 27 1 0 24 28 1 0 24 29 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3828 0.1195 -0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7968 -0.6182 -1.5038 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -2.6396 -1.4229 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -0.3743 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 0.1571 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5355 1.1464 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 1.0840 1.5042 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4276 -0.5536 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -1.3101 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 0.1756 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -0.7326 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 1.0476 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 1.1167 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -0.0880 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -0.3564 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 1.5614 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 1.7606 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 0.8609 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 -0.7448 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 -0.9062 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.7059 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 10 13 1 0 10 14 1 0 15 10 1 0 13 15 1 0 13 16 1 0 13 17 1 0 14 2 1 0 14 18 1 0 14 19 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.9854 -0.2162 0.1731 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0079 -0.3450 1.2904 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 1.1027 2.6294 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 0.7556 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 0.0549 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 -1.2275 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.4574 -1.1860 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6572 0.5965 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 1.7982 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 -0.6232 -0.8048 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0284 1.1282 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -0.3677 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 0.0715 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.8114 0.6872 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4115 -1.4618 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -0.2956 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 1.1474 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -1.7643 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 4 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 10 13 1 0 14 10 1 0 10 15 1 6 13 14 1 0 13 16 1 0 13 17 1 0 14 2 1 0 14 18 1 6 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.2435 -0.5752 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 0.5984 -0.2071 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 0.1906 0.8672 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.2999 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -0.8497 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -1.4424 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0248 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -1.1513 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 0.5622 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -1.1787 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.7616 -0.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.6596 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -0.3888 -0.5100 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7993 -2.1600 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.2873 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 1.4509 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 1.3244 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9631 -0.0877 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3593 -0.0759 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.8096 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 2.1934 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2535 2.0376 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 1.1135 -0.8408 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 0.4475 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -1.0083 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 13 1 0 16 12 1 0 12 17 1 0 12 18 1 0 19 13 1 0 13 20 1 6 2 16 1 0 16 21 1 0 16 22 1 0 19 23 1 0 19 24 1 0 19 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.3722 -1.0997 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 -0.1911 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8414 0.4891 0.5016 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -0.4357 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -1.5387 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -1.9531 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 0.0334 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 0.4116 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 -1.1496 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 -1.0430 0.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.1874 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 0.3697 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.5606 0.3188 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0447 0.9563 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 2.1755 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 1.1046 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 0.8481 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.5099 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 1.1373 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.1679 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.8963 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 1.3332 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 1.4495 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 1.1327 -1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 1.7555 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1033 -0.7979 -0.4088 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -2.2507 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -0.7896 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 11 1 0 11 15 1 0 11 16 1 0 17 12 1 0 12 18 1 0 12 19 1 0 20 13 1 0 13 14 1 0 13 21 1 1 14 22 1 0 14 23 1 0 2 17 1 0 17 24 1 0 17 25 1 0 20 26 1 0 20 27 1 0 20 28 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.7920 0.0954 0.1664 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1620 1.4284 -0.0761 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 2.3295 -1.8442 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1936 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.8703 -0.4343 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7670 -0.0520 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 0.9849 0.8106 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -0.0702 -1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -1.2500 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -1.4182 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.1707 -0.4568 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1112 -1.3700 -1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -2.3256 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 -1.3257 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 1.2079 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 -0.1959 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 1.2344 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.9617 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 11 10 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3568 -0.1556 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -0.3227 -0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.5077 -0.1407 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0389 -0.5446 0.7737 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3650 0.8775 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 -0.8199 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 0.4433 0.1498 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1269 -0.4417 -0.7113 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3980 -1.4456 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 0.2024 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 1.4967 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 0.0130 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 -1.2686 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 1.1752 -1.3812 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 0.5957 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -0.8694 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 1.0878 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -0.5311 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 8 7 1 0 7 11 1 1 12 8 1 0 8 13 1 6 10 14 1 0 10 15 1 0 10 16 1 0 2 12 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3856 -1.1119 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.2204 -0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 0.2956 -0.4443 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 -1.1525 0.5225 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8119 -2.1165 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 -0.7060 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -1.5429 2.4064 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4664 0.2056 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -1.9373 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 0.9054 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 1.0228 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 0.2732 -1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.4504 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 1.6061 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 2.1050 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.6751 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 0.8452 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 -0.5971 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 6 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4220 -0.2357 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -0.6653 0.2077 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -1.2761 0.3992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 0.4028 -0.9282 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1160 0.5211 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -1.0675 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -0.5702 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 0.8517 0.5467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0872 1.2612 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.1444 0.0378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7938 -1.6086 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 -0.5004 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 0.1196 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.4424 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 1.9362 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 -1.6120 0.4802 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 0.7934 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 0.7295 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 -0.8152 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 0.1481 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 1.2892 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 6 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.5149 -0.8599 -0.6293 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4543 -0.4314 0.4323 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3879 -0.5214 -0.0442 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 -1.3450 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 0.4516 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -1.6035 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3266 -0.0392 0.6866 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4369 -1.8258 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -2.0766 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 1.0275 0.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8318 1.0220 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 0.3282 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 0.3126 0.0990 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 -0.0610 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 0.9025 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 2.0486 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.9494 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 1.7213 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 6 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 1 10 15 1 0 10 16 1 6 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.4350 0.8648 0.7526 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5810 0.1263 0.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 1.0979 -0.8061 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 1.3126 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -0.3106 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 1.6522 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -0.0057 -0.7564 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0647 1.8459 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 1.9934 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -1.0532 0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2729 -0.8564 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 -0.0274 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 -0.3317 -2.8282 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 0.0130 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.1119 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -2.0317 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -1.2095 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -1.9681 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 1 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 7 13 1 0 10 7 1 0 7 14 1 1 10 15 1 0 10 16 1 1 15 2 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.2320 0.0898 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8144 -0.9520 0.9417 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -1.0701 2.3763 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 1.2555 0.2936 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4452 -0.4371 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 0.3099 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 2.9674 0.1656 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 0.3871 -0.9601 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2889 1.5810 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 -0.2363 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -1.4876 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 0.1395 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -0.7129 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.8797 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 -1.1817 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 0.4361 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -0.3409 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -1.6273 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 10 1 0 13 8 1 0 8 14 1 6 10 15 1 0 10 16 1 0 2 13 1 0 13 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.9927 -0.1589 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 1.0263 0.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 1.8240 0.3394 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -0.7987 0.8565 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7748 -0.9108 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 0.1316 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 0.1428 0.3670 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4186 -1.3533 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -1.5290 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 2.1399 1.4479 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 0.1282 -0.9796 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4874 -0.3833 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.0603 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 -1.7825 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 0.9347 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 0.2402 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 0.4654 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 1.9437 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 6 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 0.7819 -0.5902 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -0.0151 0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.3011 -1.0583 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 0.1191 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7337 -0.2157 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -1.6818 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -0.3906 -0.7656 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5199 0.5918 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 0.9476 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 -2.3275 -0.4938 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -0.0202 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.2534 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 1.6067 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 1.0780 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 1.9456 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 8 1 0 7 11 1 6 8 12 1 0 8 13 1 0 2 9 1 0 9 14 1 0 9 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.3679 -0.6868 0.8867 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3910 0.7683 1.1488 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 1.5931 1.8383 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 -0.7977 0.6924 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1489 -0.8102 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.3257 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -2.5929 -0.1558 I 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 0.4626 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 -0.6885 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.4836 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.8498 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -1.6941 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 1.1950 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 0.2586 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 1.0660 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.2819 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 1.0652 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 2.2713 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 1 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 1.7598 1.1790 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 0.1994 -0.5171 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 -0.4259 0.2892 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 1.3958 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 2.1366 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7135 0.8594 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 0.0983 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.7067 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 2.2194 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 0.1762 -0.8107 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3644 0.0288 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -1.1564 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -0.9169 -2.8571 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -0.5523 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 1.2037 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.6226 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 1.0034 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -0.8612 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 -2.0086 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 -1.4707 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -1.6463 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -0.2260 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -0.5287 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 -1.7911 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 6 14 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 14 22 1 0 2 18 1 0 18 23 1 0 18 24 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.0739 0.7317 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 0.7465 -0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -0.6805 0.1278 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.1612 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 0.1268 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 1.7421 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 0.6167 0.1301 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3494 -1.2846 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.4765 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 2.2337 -1.3363 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -0.8356 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 0.8485 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 -1.6289 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -2.0395 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 1.3734 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -0.3299 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.9976 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 -1.2605 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 1 11 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 11 17 1 0 11 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.3962 1.2309 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 0.2996 0.3232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 0.5430 -0.3545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 0.0557 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 2.0946 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 1.5944 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.0587 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -0.0755 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -0.8283 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7884 -0.6341 0.6401 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0254 -0.7018 1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 0.9338 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 0.0429 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -1.0599 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 0.6874 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -1.0944 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.7443 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 -0.2374 1.9807 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.7160 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7612 -0.4337 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 1.1020 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 13 1 0 10 19 1 6 13 20 1 0 13 21 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.5320 -0.8001 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 0.5752 -0.8905 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.1175 -1.6129 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3399 -1.0731 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 -1.4875 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -1.0575 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 -0.2550 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 -2.1486 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.8279 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.5706 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -0.6550 -1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 1.2509 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 0.0218 0.9015 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7046 -0.3060 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -1.6641 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -0.6247 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.6706 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 -0.0054 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 1.5234 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 1.8150 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 1.6864 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 1.7330 2.1471 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 0.3800 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -0.7404 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 -1.6245 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -0.4057 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 1.4808 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 2.5573 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 1.3880 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 0.3874 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 1 23 16 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 23 29 1 0 23 30 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5931 -1.0454 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 0.2114 -0.2987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 1.6758 0.9157 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -0.9123 0.8426 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7209 -1.8583 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -1.2844 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -2.8142 0.8608 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 0.0824 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -0.4727 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.5497 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 1.1234 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 0.1250 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.0304 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 1.6068 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 2.1547 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 1.0229 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 0.4778 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -0.6121 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 12 1 0 11 15 1 0 11 16 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.8149 -0.7274 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 0.2993 -0.7347 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 2.0740 -0.1490 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 -0.5004 1.0712 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8272 -1.7095 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.7101 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -2.2279 2.1035 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -0.0041 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 0.2999 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 0.3489 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 1.1351 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 -0.6599 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.4257 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 1.2930 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 0.2934 0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 2.0158 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 1.4660 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -1.6882 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0104 -0.5723 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 1 10 8 1 0 8 11 1 0 12 8 1 0 2 10 1 0 10 13 1 0 10 14 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.5480 0.1313 -1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 0.0949 0.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -1.5075 0.2651 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -0.7336 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 1.1737 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -0.1526 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -0.3052 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -0.6378 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -1.7933 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 0.8724 -0.3414 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7384 -1.2183 0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 -0.3709 1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 2.7982 0.9842 I 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 -0.1186 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 1.1557 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 0.4350 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -1.4162 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -0.0052 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 0.0163 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -0.2627 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.5015 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 0.3429 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 6 14 11 1 0 16 12 1 0 12 17 1 0 12 18 1 0 14 19 1 0 14 20 1 0 2 16 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.1587 0.8923 0.7302 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5561 -0.4475 1.1984 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -1.0671 2.9655 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.9810 -0.5464 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3028 0.6964 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 1.7176 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 1.7603 -0.1446 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -0.4899 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 1.6113 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.7421 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 1.4124 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 0.7910 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -1.1914 0.0004 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0783 -0.9220 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 -0.5907 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -0.7814 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 -1.3550 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 -2.2753 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 1 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 6 10 5 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 13 10 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 1 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4430 0.0319 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.3831 0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -0.6429 0.3762 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.3948 -0.8961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9841 0.9216 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 -0.7585 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.7755 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 0.7703 0.5958 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3139 1.2410 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -0.6621 0.0557 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4651 -1.7329 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -0.7531 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -0.1951 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 0.5990 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.8070 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.7327 -0.3825 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -1.6341 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.2810 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -1.0638 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.2596 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.5622 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 14 8 1 0 8 15 1 6 10 16 1 0 13 10 1 0 10 17 1 1 13 18 1 0 13 19 1 0 2 14 1 0 14 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1068 0.0590 -0.0918 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8828 -0.9963 -0.7367 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -0.8651 -2.7098 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -0.4985 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 0.7045 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 0.8166 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -0.3220 0.0088 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6155 -1.5268 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 0.1421 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 0.6772 -1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 1.7438 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -0.5292 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 1.1957 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 1.6174 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 0.5853 0.9496 I 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 -1.2266 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -1.1218 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 -0.4551 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 6 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.6993 1.1393 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 1.4794 -0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 2.4519 0.1224 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 0.0574 -0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2142 0.7323 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 2.0202 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 0.4008 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -1.1004 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.3447 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -0.9803 0.4487 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0406 1.2216 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0924 0.6040 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4948 -0.8575 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 -2.0617 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 0.2237 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 0.1227 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -1.4258 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6087 -1.2259 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -0.9814 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 0.3727 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -0.4655 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 1 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1382 0.1311 0.1211 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1878 1.1258 0.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 2.7249 -1.0260 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 0.2668 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 0.0073 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -0.9804 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -0.4399 0.1771 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7536 -0.2729 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 1.2994 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -0.7459 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 0.9296 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 0.0713 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -1.2775 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -1.8766 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 0.4911 0.0547 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -1.5284 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 0.1043 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -0.0300 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 7 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 1 12 2 1 0 12 17 1 0 12 18 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.6697 1.3531 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 0.9279 -0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 2.1669 0.0903 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 0.0698 -0.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6050 1.7746 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 2.1099 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -0.1407 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 0.0761 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 -1.0626 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 -0.7412 -0.1238 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8756 -0.8204 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.7908 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.0743 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.4237 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -0.4438 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -1.3190 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -1.9724 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 -0.1374 0.1663 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -1.8248 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -0.9767 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 -0.4807 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 1 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 10 1 0 8 13 1 0 8 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 6 15 2 1 0 15 20 1 0 15 21 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6453 -1.1275 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -0.0788 0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 0.2023 -1.0102 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.8439 0.3437 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0317 -2.1244 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.0623 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.1717 -0.1425 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5343 0.5621 0.8325 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8874 -1.6194 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 0.0240 0.5989 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 0.5229 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 1.1286 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 0.7604 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 1.7205 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 1.7639 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 8 7 1 0 7 11 1 6 12 8 1 0 8 13 1 1 2 12 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 1.1411 -0.3698 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 0.7826 0.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 1.1314 -0.0352 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 -0.6524 0.9338 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6905 -1.2744 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.1410 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 0.6428 0.5970 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7548 -1.1323 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 -1.2712 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 0.1282 0.8264 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 0.3774 -0.8730 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0142 1.5929 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -1.6185 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -1.7760 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 0.8331 -1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 0.6752 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 0.2065 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 1.8654 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 7 10 1 0 11 7 1 0 7 12 1 1 11 8 1 0 8 13 1 0 8 14 1 0 15 11 1 0 11 16 1 6 2 15 1 0 15 17 1 0 15 18 1 0 M END $$$$ RDKit 3D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.2631 -0.4287 0.9641 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2769 0.9492 1.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 1.2632 2.2808 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 -0.3923 -0.1987 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6134 -1.1749 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 -0.9278 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 1.2184 -0.1252 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 -0.0796 -1.0157 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7761 -1.3650 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -2.2104 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.1517 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 1.1847 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -0.2330 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 1.2583 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 2.0897 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 1 4 7 1 0 4 8 1 0 4 9 1 6 5 8 1 0 5 10 1 0 5 11 1 0 8 12 1 0 8 13 1 6 12 2 1 0 12 14 1 0 12 15 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4605 0.2618 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 0.4862 -1.8696 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 0.1071 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 -0.6105 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 1.1341 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 -0.0837 1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 1.1017 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 -1.0252 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 -0.1112 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 -1.0101 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 0.7582 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 2.0545 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 1.2872 -1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -2.0397 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 -1.0661 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 -0.2820 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 -0.2497 -1.8028 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 0.5161 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -1.2285 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4900 -0.0115 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.0503 0.1134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.1403 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.1672 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -0.9447 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.0262 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.4072 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 2.0610 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -1.1400 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 0.6237 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.8846 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.9994 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.1672 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6136 0.5618 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.0157 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 0.3702 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.4563 -0.3386 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.1667 1.6662 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 -0.0026 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 -1.2956 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -0.4581 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 0.0829 1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -1.1592 -0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 1.1599 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 -0.1713 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -0.7088 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.0493 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -2.1100 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -1.3743 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 1.0334 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 2.1338 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 1.0251 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.7427 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 0.8320 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 1.9423 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 0.5815 1.1039 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 -1.7028 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 -0.9429 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 14 1 0 14 18 1 0 14 19 1 0 17 20 1 0 17 21 1 0 17 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.5151 0.7681 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 0.8902 2.1129 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.1774 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 1.7820 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 0.1773 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 0.8621 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -1.2994 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 0.2882 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1193 -0.0568 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 1.9156 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 0.7795 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 -1.4555 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -1.9923 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 -1.5221 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 0.1067 -1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 1.2750 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 -0.4653 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.1254 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 -2.2537 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 -1.7097 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 0.9886 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.7643 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 2.0867 0.3762 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 -0.1081 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -0.5954 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 2.8313 -0.0819 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 0.8957 -0.9113 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -0.0190 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 0.3584 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -1.1309 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 -0.7011 -1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 -0.7858 1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 1.4251 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -0.6810 -1.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 -1.7390 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.2026 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -0.7800 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -0.3376 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -1.8245 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 1.4383 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 2.0213 -0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 1.9317 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 0.0032 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9317 -1.7104 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 -0.1589 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 -1.8136 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -0.3444 1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9837 2.0163 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 1.9759 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -0.0269 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 0.8496 0.9774 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 0.4880 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 -1.0659 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 25 18 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.4013 -0.0888 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 -0.4394 1.4000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.2763 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 0.5607 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 0.6141 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -0.0959 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -1.9143 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -1.9230 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 1.6544 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0701 0.1657 2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 0.5932 -1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 1.6374 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 0.0654 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -0.4324 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 0.0116 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 1.6072 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 1.3314 0.4611 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2286 -1.0862 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 -0.9848 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 14 6 1 0 6 11 1 0 11 15 1 0 11 16 1 0 14 17 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 14 9 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.4616 -0.1090 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -0.0861 1.5070 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 0.3529 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -1.5099 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.8449 -0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 0.1499 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 -0.2823 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2943 1.3961 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -1.3372 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 -2.2734 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -1.8410 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.0273 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 1.8184 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 0.4340 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.5095 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 -1.5854 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 -2.0025 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 2.0830 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 0.7166 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 0.2358 -1.2020 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -0.0965 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 1.5548 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2336 -0.3311 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -1.5781 1.0992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.1424 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 0.6457 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 -0.7472 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 0.4329 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -1.4148 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.9098 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 0.4650 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 1.4241 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -0.2247 2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -1.0018 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -1.7127 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2733 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 1.3209 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7849 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 0.5034 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 1.1721 2.2111 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -1.1144 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -1.6442 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 2.3958 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 1.1302 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 12 9 1 0 9 15 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6645 -0.0845 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -0.1829 -0.6748 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.3786 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -0.8791 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.6814 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.4544 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 1.9788 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.8445 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -0.8117 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.9300 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -0.4859 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -0.6087 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.7267 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -0.1457 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.0420 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 1.9697 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 2.0776 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.3999 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -1.8285 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.6205 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 -0.0381 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.0718 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 0.9236 2.1734 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.9497 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 0.6324 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 22 15 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.0985 -1.4701 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 -1.4512 -1.2441 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -0.4384 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -1.2797 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 -2.4792 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 -0.7264 1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -0.6449 -1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 1.0206 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 -0.0913 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 -1.7909 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 -0.2176 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -0.0630 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -1.6922 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3812 1.9811 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 1.1999 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3887 1.2403 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 -0.5202 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 1.4575 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 2.1149 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 2.9752 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -2.6196 -0.4764 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.0564 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -0.1385 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 1.9370 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.7535 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 17 9 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 17 21 1 0 17 22 1 0 17 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.1993 0.7289 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 2.3717 1.1810 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 1.3082 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 0.3601 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -0.4616 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 0.1834 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2686 1.2575 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 2.3384 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 1.1769 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.5312 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 -1.6225 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 -0.7917 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.1783 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.3885 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -1.1542 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2564 -2.3175 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -2.1985 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 2.1982 1.0022 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8071 -0.4462 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 0.3586 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -1.0242 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -1.9444 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 14 6 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 14 18 1 0 14 19 1 0 14 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3190 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5464 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6609 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -1.2024 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 18 9 1 0 14 18 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -0.2260 0.0124 -1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 0.0190 -3.9327 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -0.4195 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.7876 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 1.2372 -0.9040 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1842 -1.2301 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 0.8136 -0.1584 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9529 -0.7722 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 0.4383 0.0846 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9014 -1.4411 -1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 2.2485 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 0.0029 0.8491 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3953 -2.2455 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 1.4729 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 0.7913 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.0374 2.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 -0.6336 2.9968 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 1.0543 2.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -0.5981 2.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 6 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 1 9 12 1 0 9 15 1 1 12 16 1 1 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 1 3 6 1 0 3 7 1 0 3 8 1 1 9 4 1 0 4 10 1 0 4 11 1 0 7 12 1 0 13 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 10 13 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8841 -0.0802 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 1.8334 -0.0586 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.3649 -1.1912 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.0155 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.4364 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 0.7960 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.2052 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 0.4120 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 0.0180 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 1.8870 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.5249 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.9951 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.6610 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 1.4649 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.2178 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.0399 -0.1506 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9913 0.1766 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 1.3194 -1.0426 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -2.4398 0.0982 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 0.0187 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 0.5346 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.1285 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 0.8445 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 -0.9214 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -0.0470 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 1.5984 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -1.0623 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.0110 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -0.2913 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.2218 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0180 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 1.7113 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 1.5494 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 -0.5550 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -0.3358 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2335 -0.3311 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -1.5785 1.0984 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -0.1424 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 0.6457 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -0.7470 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.4326 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 -1.4147 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.9101 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 0.4648 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 1.4237 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -0.2253 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -1.0018 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -1.7124 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2734 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.3210 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7852 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 0.5040 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 1.1716 2.2116 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -1.1142 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 -1.6445 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 2.3959 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 1.1306 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3189 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5463 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6608 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -1.2024 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4900 -0.0115 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.0503 0.1134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.1403 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.1672 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -0.9447 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.0262 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.4072 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 2.0610 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -1.1400 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 0.6237 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.8846 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.9994 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.1672 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6136 0.5618 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.0157 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 0.3702 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 1 3 6 1 0 3 7 1 0 3 8 1 1 9 4 1 0 4 10 1 0 4 11 1 0 7 12 1 0 13 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 10 13 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.3301 -0.2000 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -0.3619 0.3866 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -1.3381 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 0.5371 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.4218 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -0.0551 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -2.0209 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.9235 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 1.6291 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 0.1402 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 1.5022 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -0.0842 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 0.0650 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 1.2222 -0.0852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -1.0157 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 0.8834 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 -0.4740 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 2.2361 -0.3276 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -1.1638 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 2 0 15 13 1 0 14 16 1 0 17 15 1 0 16 18 1 0 16 17 2 0 17 19 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.3478 0.4354 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 0.8637 -0.2122 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.5504 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 1.0710 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 -0.9185 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 0.0377 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -0.1247 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 1.5564 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 0.8882 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 2.1293 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 -1.3004 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 -1.7432 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.2605 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3753 -0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -1.4409 1.0457 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -0.0962 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 -1.0836 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.6592 -1.5357 I 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -1.5988 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 2 0 15 13 1 0 14 16 1 0 17 15 1 0 16 18 1 0 16 17 2 0 17 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.7817 0.5474 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 1.5028 -1.4658 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 -1.1406 0.6038 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 0.1117 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.2282 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 1.0463 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -0.6072 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -0.8455 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 -0.3763 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 1.5607 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 1.7507 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -0.0575 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -1.6483 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.5200 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -1.9097 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -0.6425 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8841 -0.0802 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 1.8334 -0.0586 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.3649 -1.1912 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.0155 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.4364 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 0.7960 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.2052 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 0.4120 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 0.0180 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 1.8870 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.5249 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.9951 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.6610 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 1.4649 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.2178 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.0399 -0.1506 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4269 0.3699 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 2.2984 -1.1088 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.6457 1.8424 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -0.5717 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -0.0932 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 -0.1729 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -0.7161 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 -1.5595 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 -1.1117 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -0.0379 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 0.9925 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 0.0705 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 -1.2322 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -2.0929 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 0.8581 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.9161 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.9917 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 1.0731 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 0.2041 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 10 1 0 10 15 1 0 10 16 1 0 12 11 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.7669 0.0803 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -0.8125 1.2932 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 1.3066 -1.2714 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 0.9741 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -0.6818 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 0.2594 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.5262 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.7444 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 -0.4696 -1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 -0.7085 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 1.2180 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -0.5713 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -1.4590 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 0.1123 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.8169 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 -1.6898 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.2976 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 0.1009 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 1.9335 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.7585 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -1.6085 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 -0.0211 -1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.4485 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -1.8484 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.4193 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 15 10 1 0 10 16 1 0 10 17 1 0 18 11 1 0 11 19 1 0 11 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 18 15 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3010 -0.0800 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -1.7205 1.4666 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 1.6861 -0.5084 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 0.7857 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -0.3407 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.0774 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 1.8602 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 0.6417 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 0.3211 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 -1.3699 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 1.0069 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 -1.0964 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 0.1690 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.3568 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 1.8870 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -0.6443 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 -1.3324 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 -2.0021 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 -0.4958 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 0.7862 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 -1.4878 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -0.0081 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5704 0.1844 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 1.9537 -0.0875 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -2.0826 0.0031 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.1079 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 -0.0452 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 -0.0193 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 0.6426 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -1.0886 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 0.7490 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -0.9965 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -1.2360 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 1.2932 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 -1.2113 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -2.1701 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -1.2332 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 1.3082 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 2.1598 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 1.4014 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 0.0903 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -1.3249 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -2.0614 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 2.2237 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 1.3263 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 0.1437 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 0.1006 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 19 1 0 13 20 1 0 13 21 1 0 19 16 1 0 16 22 1 0 16 23 1 0 19 24 1 0 19 25 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 2.4025 0.0463 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -1.7470 -0.7334 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 1.5416 1.3571 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -0.3663 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 0.7753 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0639 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -1.4233 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 0.2192 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 1.8663 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 0.5575 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 1.0123 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -1.0918 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 1.0331 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2238 0.6510 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 2.0236 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -1.3635 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -2.0016 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -0.8126 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6594 -0.2443 -0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.7510 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 1.3345 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 -1.6091 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -2.2159 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 19 1 0 13 20 1 0 13 21 1 0 19 16 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1288 -0.0670 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -0.9377 1.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 0.7287 -1.7814 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 1.0903 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 -1.1779 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 0.5869 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 1.8570 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 1.5993 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -0.6023 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -1.9272 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -1.7221 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 0.0211 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -0.1885 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.4012 1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 0.1546 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -1.3900 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -0.8181 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 0.9715 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 0.2928 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 -1.6763 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -1.1247 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.9039 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 2.0245 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 9 5 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 17 20 1 0 17 21 1 0 19 18 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 2.4374 -0.0014 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -0.8341 -0.9991 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 0.8298 1.9549 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 1.1152 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -1.1170 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 1.2820 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 2.0734 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 0.8794 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -1.2823 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 -2.0758 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -0.8809 1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 0.0003 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 2.1217 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 1.5569 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -1.5575 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -2.1214 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -0.0444 0.8778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 0.0460 -1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7809 -0.3182 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5828 0.3213 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 -1.4050 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 0.0901 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 -0.0862 -1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 1.4082 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 9 5 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 20 18 1 0 19 20 1 0 19 21 1 0 19 22 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0839 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.0763 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.3292 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -0.7672 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0870 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -1.0878 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 0.6160 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 1.6507 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 2.2141 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9729 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -0.4666 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 -1.6709 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 0.3598 0.9129 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -1.9853 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7810 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 11 6 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 9 6 1 0 6 12 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6645 -0.0845 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -0.1829 -0.6748 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.3786 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -0.8791 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.6814 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.4544 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 1.9788 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.8445 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -0.8117 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.9300 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -0.4859 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -0.6087 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.7267 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -0.1457 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.0420 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 1.9697 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 2.0776 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.3999 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -1.8285 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.6205 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 -0.0381 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.0718 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 0.9236 2.1734 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.9497 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 0.6324 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 15 6 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0427 0.2880 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.8751 2.2011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.0841 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.0300 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.4258 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1760 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 1.9665 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3799 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -1.6500 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -1.6517 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -0.6065 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.1587 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -0.3019 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -1.6686 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -0.0204 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7469 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.0258 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 2.3319 0.0280 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -0.8087 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 14 9 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2336 -0.3311 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -1.5781 1.0992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.1424 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 0.6457 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 -0.7472 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 0.4329 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -1.4148 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.9098 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 0.4650 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 1.4241 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -0.2247 2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -1.0018 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -1.7127 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2733 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 1.3209 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7849 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 0.5034 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 1.1721 2.2111 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -1.1144 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -1.6442 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 2.3958 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 1.1302 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 12 9 1 0 9 15 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3190 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5464 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6609 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -1.2024 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 18 9 1 0 14 18 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.3114 -0.0802 0.1665 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1253 1.0803 0.3630 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 -1.6120 -1.2510 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 0.8112 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -0.5293 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 0.1887 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 1.7680 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 1.0592 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 0.8772 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -0.2084 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 -1.1182 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -0.4817 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 1.7879 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 1.0282 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -1.0777 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0306 0.5982 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -1.1606 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 -2.0821 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -0.8487 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 1 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 10 1 0 10 15 1 0 10 16 1 0 12 11 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 1 3 6 1 0 7 3 1 0 3 8 1 1 4 9 1 0 10 4 1 0 4 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 12 1 0 9 15 1 0 9 16 1 0 13 10 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 1.6394 -0.5517 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 1.4397 1.6116 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 -1.9410 -0.5838 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 -0.9778 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 0.2273 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 0.0251 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -2.0203 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -0.8015 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 1.2593 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.2843 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 -0.3245 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 1.2139 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 0.8388 0.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -1.2494 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9714 -0.2667 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 2.1980 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 1.2152 2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0427 0.2880 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.8751 2.2011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.0841 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.0300 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.4258 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1760 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 1.9665 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3799 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -1.6500 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -1.6517 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -0.6065 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.1587 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -0.3019 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -1.6686 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -0.0204 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7469 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.0258 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 2.3319 0.0280 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -0.8087 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 1.8144 -0.1496 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -0.3406 0.2721 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 -0.4009 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 -0.9393 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 1.1314 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -1.2001 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 0.8824 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -0.7019 2.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 0.3465 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.6867 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 2.0902 -0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 0.0875 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -2.1623 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 1.6300 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 0.6517 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 0.2999 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 -0.9753 -1.5040 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 1.3438 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 0.0933 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 7 1 0 9 5 1 0 5 11 1 0 6 12 1 0 6 13 1 0 12 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4959 0.0912 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 0.2162 0.0746 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4765 1.1513 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -0.1116 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 -0.9384 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 -0.0296 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 1.3897 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 2.0854 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -1.0693 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 0.6968 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -0.9080 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -1.9826 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -0.0250 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 -1.7796 0.6271 I 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 1.0316 0.6342 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 0.1818 -1.3677 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4900 -0.0115 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.0503 0.1134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.1403 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.1672 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -0.9447 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.0262 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.4072 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 2.0610 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -1.1400 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 0.6237 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.8846 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.9994 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.1672 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6136 0.5618 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.0157 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 0.3702 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0839 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.0763 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.3292 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -0.7672 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0870 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -1.0878 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 0.6160 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 1.6507 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 2.2141 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9729 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -0.4666 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 -1.6709 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 0.3598 0.9129 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -1.9853 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7810 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 11 6 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 9 6 1 0 6 12 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.4012 -0.0882 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 -0.4386 1.4004 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -1.2764 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2407 0.5587 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 0.6173 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -0.0967 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 -1.9161 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5638 -1.9212 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2336 1.6523 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 0.1616 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 0.5954 -1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7574 1.6409 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 0.0706 -1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0706 -0.4349 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.0152 -2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5311 1.6092 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 1.3273 0.4624 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 -1.0905 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.9860 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 11 6 1 0 11 15 1 0 11 16 1 0 14 17 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2335 -0.3311 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -1.5785 1.0984 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -0.1424 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 0.6457 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -0.7470 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.4326 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 -1.4147 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.9101 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 0.4648 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 1.4237 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -0.2253 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -1.0018 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -1.7124 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2734 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.3210 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7852 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 0.5040 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 1.1716 2.2116 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -1.1142 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 -1.6445 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 2.3959 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 1.1306 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.4615 -0.1090 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -0.0863 1.5072 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 0.3528 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -1.5099 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.8450 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 0.1499 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.2825 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 1.3960 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 -1.3371 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 -2.2734 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -1.8409 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 1.0274 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 1.8185 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 0.4342 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.5095 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -1.5853 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 -2.0026 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 2.0831 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 0.7168 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 0.2359 -1.2022 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 -0.0967 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 1.5547 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 9 6 1 0 6 12 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6645 -0.0845 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -0.1829 -0.6748 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.3786 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -0.8791 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.6814 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.4544 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 1.9788 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.8445 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -0.8117 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.9300 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -0.4859 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -0.6087 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.7267 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -0.1457 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.0420 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 1.9697 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 2.0776 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.3999 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -1.8285 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.6205 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 -0.0381 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.0718 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 0.9236 2.1734 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.9497 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 0.6324 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 15 6 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3189 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5463 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6608 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -1.2024 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.1992 0.7291 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 2.3720 1.1807 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0852 1.3081 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 0.3603 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -0.4616 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 0.1834 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 1.2573 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 2.3383 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 1.1771 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.5309 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 -1.6225 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -0.7915 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.1783 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.3883 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -1.1543 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2565 -2.3175 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 -2.1984 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 2.1981 1.0020 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8071 -0.4463 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 0.3583 -0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -1.0244 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -1.9445 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 15 6 1 0 11 15 1 0 11 16 1 0 11 17 1 0 14 18 1 0 14 19 1 0 14 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0427 0.2880 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.8751 2.2011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.0841 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.0300 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.4258 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1760 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 1.9665 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3799 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -1.6500 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -1.6517 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -0.6065 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.1587 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -0.3019 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -1.6686 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -0.0204 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7469 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.0258 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 2.3319 0.0280 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -0.8087 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.3301 -0.2000 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -0.3619 0.3866 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -1.3381 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 0.5371 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.4218 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -0.0551 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -2.0209 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.9235 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 1.6291 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 0.1402 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 1.5022 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -0.0842 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 0.0650 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 1.2222 -0.0852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -1.0157 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 0.8834 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 -0.4740 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 2.2361 -0.3276 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -1.1638 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 2 0 15 13 1 0 14 16 1 0 17 15 1 0 16 18 1 0 16 17 2 0 17 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4900 -0.0115 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.0503 0.1134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.1403 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.1672 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -0.9447 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.0262 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.4072 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 2.0610 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -1.1400 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 0.6237 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.8846 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.9994 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.1672 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6136 0.5618 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.0157 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 0.3702 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 1 3 6 1 0 3 7 1 0 3 8 1 1 9 4 1 0 4 10 1 0 4 11 1 0 7 12 1 0 13 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 10 13 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8841 -0.0802 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 1.8334 -0.0586 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.3649 -1.1912 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.0155 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.4364 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 0.7960 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.2052 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 0.4120 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 0.0180 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 1.8870 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.5249 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.9951 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.6610 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 1.4649 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.2178 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.0399 -0.1506 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9913 0.1766 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 1.3194 -1.0426 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -2.4398 0.0982 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 0.0187 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 0.5346 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.1285 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 0.8445 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 -0.9214 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -0.0470 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 1.5984 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -1.0623 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.0110 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -0.2913 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.2218 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0180 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 1.7113 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 1.5494 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 -0.5550 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -0.3358 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 14 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2335 -0.3311 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -1.5785 1.0984 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -0.1424 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 0.6457 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -0.7470 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.4326 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 -1.4147 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.9101 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 0.4648 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 1.4237 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -0.2253 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -1.0018 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -1.7124 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2734 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.3210 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7852 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 0.5040 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 1.1716 2.2116 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -1.1142 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 -1.6445 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 2.3959 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 1.1306 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0840 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -0.0766 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 1.3292 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -0.7670 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0869 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -1.0881 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.6155 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 1.6510 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 2.2140 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9727 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.4662 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -1.6707 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.3596 0.9126 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.9852 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7807 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 11 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 9 1 0 12 6 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3189 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5463 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6608 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -1.2024 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 3 7 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 14 8 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 18 14 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 5 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 15 11 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0417 0.2893 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.8811 2.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.0839 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -1.0292 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 0.4271 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1762 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 1.9672 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.3780 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.6477 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -1.6522 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 -0.6090 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.1575 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -0.3032 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -1.6715 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -0.0244 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.7490 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 -1.0235 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.3292 0.0298 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.8104 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 11 6 1 0 6 12 1 0 13 11 1 0 11 14 1 0 11 15 1 0 12 13 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4900 -0.0115 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 -0.0503 0.1134 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.1403 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.1672 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -0.9447 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.0262 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 1.4072 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 2.0610 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -1.1400 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 0.6237 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.8846 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.9994 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.1672 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6136 0.5618 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.0157 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 0.3702 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 1 3 6 1 0 3 7 1 0 3 8 1 1 9 4 1 0 4 10 1 0 4 11 1 0 7 12 1 0 13 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 10 13 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.3301 -0.2000 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -0.3619 0.3866 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -1.3381 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 0.5371 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.4218 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 -0.0551 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -2.0209 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -1.9235 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 1.6291 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 0.1402 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 1.5022 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -0.0842 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 0.0650 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 1.2222 -0.0852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -1.0157 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 0.8834 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 -0.4740 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 2.2361 -0.3276 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -1.1638 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 2 0 15 13 1 0 14 16 1 0 17 15 1 0 16 18 1 0 16 17 2 0 17 19 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.3478 0.4354 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 0.8637 -0.2122 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.5504 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 1.0710 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 -0.9185 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 0.0377 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -0.1247 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 1.5564 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 0.8882 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 2.1293 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 -1.3004 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 -1.7432 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.2605 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3753 -0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -1.4409 1.0457 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -0.0962 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 -1.0836 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.6592 -1.5357 I 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -1.5988 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 13 6 1 0 13 14 2 0 15 13 1 0 14 16 1 0 17 15 1 0 16 18 1 0 16 17 2 0 17 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.7817 0.5474 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 1.5028 -1.4658 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 -1.1406 0.6038 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 0.1117 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.2282 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 1.0463 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -0.6072 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -0.8455 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 -0.3763 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 1.5607 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 1.7507 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -0.0575 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -1.6483 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.5200 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -1.9097 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -0.6425 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8841 -0.0802 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 1.8334 -0.0586 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.3649 -1.1912 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.0155 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.4364 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 0.7960 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.2052 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 0.4120 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 0.0180 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 1.8870 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.5249 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -1.9951 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.6610 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 1.4649 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.2178 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.0399 -0.1506 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 7 4 1 0 8 4 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4269 0.3699 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 2.2984 -1.1088 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.6457 1.8424 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -0.5717 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -0.0932 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 -0.1729 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -0.7161 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 -1.5595 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 -1.1117 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -0.0379 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 0.9925 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 0.0705 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 -1.2322 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -2.0929 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 0.8581 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -0.9161 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.9917 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 1.0731 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 0.2041 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 10 1 0 10 15 1 0 10 16 1 0 12 11 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.7669 0.0803 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -0.8125 1.2932 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 1.3066 -1.2714 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 0.9741 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -0.6818 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 0.2594 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.5262 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.7444 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 -0.4696 -1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 -0.7085 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 1.2180 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -0.5713 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -1.4590 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 0.1123 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.8169 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 -1.6898 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.2976 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 0.1009 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 1.9335 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.7585 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -1.6085 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 -0.0211 -1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.4485 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -1.8484 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.4193 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 15 10 1 0 10 16 1 0 10 17 1 0 18 11 1 0 11 19 1 0 11 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 18 15 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3010 -0.0800 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -1.7205 1.4666 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 1.6861 -0.5084 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 0.7857 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -0.3407 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.0774 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 1.8602 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 0.6417 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 0.3211 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 -1.3699 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 1.0069 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 -1.0964 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 0.1690 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.3568 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 1.8870 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -0.6443 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 -1.3324 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 -2.0021 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 -0.4958 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 0.7862 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 -1.4878 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -0.0081 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 16 21 1 0 16 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5704 0.1844 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 1.9537 -0.0875 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -2.0826 0.0031 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.1079 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 -0.0452 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 -0.0193 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 0.6426 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -1.0886 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 0.7490 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -0.9965 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -1.2360 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 1.2932 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 -1.2113 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -2.1701 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -1.2332 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 1.3082 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 2.1598 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 1.4014 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 0.0903 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -1.3249 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -2.0614 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 2.2237 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 1.3263 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 0.1437 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 0.1006 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 19 1 0 13 20 1 0 13 21 1 0 19 16 1 0 16 22 1 0 16 23 1 0 19 24 1 0 19 25 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 2.4025 0.0463 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -1.7470 -0.7334 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 1.5416 1.3571 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -0.3663 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 0.7753 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.0639 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -1.4233 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 0.2192 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 1.8663 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 0.5575 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 1.0123 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -1.0918 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 1.0331 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2238 0.6510 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 2.0236 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -1.3635 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -2.0016 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -0.8126 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6594 -0.2443 -0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.7510 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 1.3345 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 -1.6091 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -2.2159 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 6 5 1 0 5 9 1 0 5 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 16 12 1 0 12 17 1 0 12 18 1 0 13 19 1 0 13 20 1 0 13 21 1 0 19 16 1 0 16 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1288 -0.0670 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -0.9377 1.1946 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 0.7287 -1.7814 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 1.0903 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 -1.1779 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 0.5869 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 1.8570 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 1.5993 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -0.6023 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -1.9272 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -1.7221 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 0.0211 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -0.1885 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.4012 1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 0.1546 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -1.3900 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -0.8181 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 0.9715 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 0.2928 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 -1.6763 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -1.1247 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.9039 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 2.0245 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 9 5 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 17 20 1 0 17 21 1 0 19 18 1 0 18 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 2.4374 -0.0014 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -0.8341 -0.9991 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 0.8298 1.9549 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 1.1152 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -1.1170 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 1.2820 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 2.0734 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 0.8794 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -1.2823 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 -2.0758 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -0.8809 1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 0.0003 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 2.1217 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 1.5569 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -1.5575 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -2.1214 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -0.0444 0.8778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 0.0460 -1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7809 -0.3182 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5828 0.3213 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 -1.4050 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 0.0901 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 -0.0862 -1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 1.4082 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 4 6 1 0 4 7 1 0 4 8 1 0 9 5 1 0 5 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 12 9 1 0 9 15 1 0 9 16 1 0 12 17 1 0 18 12 1 0 17 19 1 0 20 18 1 0 19 20 1 0 19 21 1 0 19 22 1 0 20 23 1 0 20 24 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7462 0.3590 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1921 -2.0839 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.0763 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.3292 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -0.7672 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 0.0870 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -1.0878 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 0.6160 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3993 1.6507 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 2.2141 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.9729 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -0.4666 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 -1.6709 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 0.3598 0.9129 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 -1.9853 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.7810 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 11 6 1 0 11 15 1 0 11 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3083 -1.0648 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -2.8849 1.1742 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0508 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.0920 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.4256 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 1.0891 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.1628 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.3117 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 0.3885 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6741 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.5085 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 1.0549 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 -0.8645 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.5157 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 2.9654 1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.7522 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.5129 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 1.3961 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.6713 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 9 6 1 0 6 12 1 0 9 16 1 0 9 17 1 0 12 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6645 -0.0845 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -0.1829 -0.6748 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.3786 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -0.8791 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.6814 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.4544 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 1.9788 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.8445 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -0.8117 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.9300 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -0.4859 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -0.6087 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.7267 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -0.1457 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.0420 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 1.9697 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 2.0776 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.3999 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -1.8285 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.6205 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 -0.0381 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.0718 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 0.9236 2.1734 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -0.9497 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 0.6324 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.4520 -1.1231 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.3050 0.4386 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -1.0549 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.5933 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.1392 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.1769 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8640 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.9121 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 0.0136 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.3605 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.3032 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -0.2671 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -0.3276 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 0.4471 0.5388 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 1.4460 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.9837 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.6240 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.6305 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 2.3220 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 15 6 1 0 11 15 1 0 11 16 1 0 11 17 1 0 15 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0427 0.2880 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.8751 2.2011 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.0841 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.0300 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.4258 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.1760 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 1.9665 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3799 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -1.6500 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -1.6517 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -0.6065 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.1587 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -0.3019 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -1.6686 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -0.0204 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7469 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.0258 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 2.3319 0.0280 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -0.8087 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 11 1 0 12 6 1 0 11 13 1 0 11 14 1 0 11 15 1 0 13 12 1 0 12 16 1 0 12 17 1 0 13 18 1 0 13 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 1.9661 0.8317 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6167 -0.3468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.2209 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 1.5501 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 1.3959 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.7391 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.9231 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2709 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.9918 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2647 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 -1.6049 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.8158 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.6210 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.3515 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 1.9818 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 1.8255 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -2.8497 -0.0614 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 0.4211 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 0.5773 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 14 9 1 0 14 18 1 0 14 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.2336 -0.3311 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -1.5781 1.0992 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.1424 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 0.6457 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 -0.7472 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 0.4329 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -1.4148 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.9098 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 0.4650 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 1.4241 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -0.2247 2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -1.0018 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -1.7127 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -2.2733 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 1.3209 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.7849 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 0.5034 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 1.1721 2.2111 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -1.1144 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -1.6442 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 2.3958 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 1.1302 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 12 9 1 0 9 15 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3381 -0.3190 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.5464 1.4638 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -0.1250 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.7623 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 0.6470 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.6609 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 1.1153 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -1.3610 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 1.2041 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.4205 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.0610 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 1.9701 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 0.9277 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -1.2024 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.4913 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.2815 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 3.4063 0.6350 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.2453 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -1.8702 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -1.5278 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.4469 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.3818 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 18 9 1 0 14 18 1 0 14 19 1 0 14 20 1 0 18 21 1 0 18 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.3114 -0.0802 0.1665 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1253 1.0803 0.3630 I 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 -1.6120 -1.2510 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 0.8112 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -0.5293 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 0.1887 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 1.7680 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 1.0592 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 0.8772 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -0.2084 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 -1.1182 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -0.4817 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 1.7879 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 1.0282 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -1.0777 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0306 0.5982 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -1.1606 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 -2.0821 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -0.8487 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 1 4 6 1 0 4 7 1 0 4 8 1 0 6 9 1 0 10 6 1 0 11 6 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 10 1 0 10 15 1 0 10 16 1 0 12 11 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3444 -0.2230 0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8513 -1.7793 0.9686 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -0.6986 1.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 0.2414 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.6229 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -0.0083 3.4889 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.2142 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -1.7937 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 1.5389 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -0.7898 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.4385 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 1.2820 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -1.0078 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.3983 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 2.3309 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 1.9050 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.4381 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -1.7448 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 1.5973 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 1.9061 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.0771 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.6902 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 1 3 6 1 0 7 3 1 0 3 8 1 1 4 9 1 0 10 4 1 0 4 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 12 1 0 9 15 1 0 9 16 1 0 13 10 1 0 10 17 1 0 10 18 1 0 12 19 1 0 12 20 1 0 13 21 1 0 13 22 1 0 M END $$$$ RDKit 3D 22 26 0 0 0 0 0 0 0 0999 V2000 -2.8096 0.3564 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 1.4133 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 -0.2055 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -0.2769 1.5791 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 0.1477 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 0.5205 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -1.1889 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 0.8146 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -0.8146 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 1.1889 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 0.9456 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -0.5205 1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -2.1624 0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 1.4755 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.1477 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 -1.4755 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 2.1624 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 -0.9457 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 -0.3564 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1954 0.2056 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -1.4133 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 0.2768 -1.6340 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 19 15 1 0 19 20 1 0 19 21 1 0 19 22 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.4451 0.3919 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 1.4194 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 0.2953 1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -0.9688 -1.1769 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 0.1184 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -1.1503 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 0.9243 0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 0.2162 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 -0.1240 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2388 -1.4415 1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 -2.0463 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 1.9802 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 0.8277 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 1.2011 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -0.5430 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.4186 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -1.2731 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 -0.6919 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5504 1.2831 -0.3376 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 16 9 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.2809 1.2672 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 1.1412 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 0.8836 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 3.3646 -0.0713 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 0.4393 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 0.8101 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -1.0324 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 0.4054 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -0.3449 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 0.7465 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6522 1.7967 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 -1.5657 -0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 -1.6114 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -1.0943 -1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -0.1300 1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 1.3975 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2699 -0.2394 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -0.5194 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -2.4286 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -1.8846 -1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 0.6116 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 -1.0556 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -0.7576 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -1.3797 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 1.1800 -0.2725 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 12 1 0 15 9 1 0 12 19 1 0 12 20 1 0 15 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.8424 -0.4294 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -0.3410 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 -1.4657 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 0.8461 -1.1372 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -0.1582 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -1.1770 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 -0.3541 -1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 1.2524 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 -0.9869 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 -2.2035 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -1.0765 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 -0.1592 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 0.3520 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 -1.3580 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 1.4399 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.4169 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 2.0322 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.1611 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.9341 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -0.7800 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -1.0686 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 0.6502 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 1.7101 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 2.2925 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 0.4489 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 1.3139 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 0.7349 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 -1.1590 -0.5807 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 25 18 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 -1.8813 1.3568 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 1.4950 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 1.3178 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 3.0611 -0.1483 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -0.0067 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 -0.7184 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 -0.5055 1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0675 -0.6351 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -0.0089 -1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 -1.7697 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 -1.0979 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 0.2426 0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 -0.6918 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 0.1146 -0.4397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.6149 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.9514 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 -2.4873 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.3345 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.2822 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1113 -0.2066 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 1.2560 -0.9160 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 10 6 1 0 6 11 1 0 7 10 1 0 12 7 1 0 7 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 10 17 1 0 10 18 1 0 14 12 1 0 12 19 1 0 12 20 1 0 14 21 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.3010 1.0892 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 1.9171 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 1.3555 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 0.8455 0.9059 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 -0.1902 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.2343 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 -0.4689 1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 -1.0215 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -1.3850 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 1.0025 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 0.2983 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7013 -1.4750 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -0.8531 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -2.2993 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 -1.5974 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 0.5696 -1.2554 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 1.2527 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 1.8637 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.3571 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -1.0123 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 1.6999 -1.4574 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 5 1 0 5 7 1 0 5 8 1 0 6 9 1 0 7 6 1 0 10 6 1 0 7 11 1 0 7 12 1 0 9 13 1 0 9 14 1 0 9 15 1 0 16 10 1 0 10 17 1 0 10 18 1 0 13 16 1 0 13 19 1 0 13 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 3.1291 -0.2559 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 -0.5050 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1453 -1.1709 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 1.2436 -0.9146 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 0.2690 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -0.7643 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 0.3473 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 1.1967 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 -0.1178 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -1.8053 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4983 -0.7087 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -0.3656 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.3391 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 1.0061 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -1.0893 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 0.4466 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 1.2523 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 1.9196 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -0.4184 -0.8342 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 -1.4390 -1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 -1.9884 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8134 -0.1786 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 1.2329 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 0.5539 -2.5401 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 14 1 0 15 9 1 0 14 16 1 0 14 17 1 0 14 18 1 0 19 15 1 0 15 20 1 0 15 21 1 0 16 19 1 0 16 22 1 0 16 23 1 0 19 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -3.5074 -0.0262 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 -0.6641 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 -0.2679 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 2.0068 0.4568 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -0.3750 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 -0.0930 0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 0.4037 -1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -1.4484 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 0.1425 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 -0.9350 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 0.7876 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 1.4635 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 -0.0389 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.3750 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 -1.0843 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 1.0007 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 1.8856 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 2.0986 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 -1.3891 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 -1.9683 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 -0.8859 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -0.2081 1.1349 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 1.8631 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 0.8627 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -2.1214 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.8802 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 -0.5038 2.2480 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 14 1 0 15 9 1 0 14 16 1 0 14 17 1 0 14 18 1 0 19 15 1 0 15 20 1 0 15 21 1 0 16 22 1 0 16 23 1 0 16 24 1 0 22 19 1 0 19 25 1 0 19 26 1 0 22 27 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.7527 -0.1203 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -0.9496 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -0.3559 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 1.6816 -0.3933 I 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 0.0398 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 -1.1693 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 0.9224 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 0.2916 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 -0.1542 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -1.8428 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6839 -1.7676 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 1.0398 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 1.9108 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.4334 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 0.0929 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 0.0662 0.1571 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 0.0950 2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -1.4984 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -0.7287 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6953 1.0165 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 1.8635 0.6339 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 14 1 0 15 9 1 0 14 16 1 0 14 17 1 0 14 18 1 0 16 15 1 0 15 19 1 0 15 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 24 25 0 0 0 0 0 0 0 0999 V2000 -2.8202 -0.0722 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -0.2339 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -0.9390 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 1.6741 1.4689 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 0.0299 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 0.9966 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -1.2962 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 0.3191 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 0.5635 -0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 2.0462 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 0.8733 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 -0.9123 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 -1.7319 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 -2.0331 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 1.2752 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 0.6850 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -0.9514 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 -1.5394 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.2397 0.3581 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 1.6826 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 2.1307 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -0.8759 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 -1.8954 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -0.0352 -0.9475 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 12 9 1 0 9 16 1 0 17 12 1 0 12 18 1 0 15 19 1 0 15 20 1 0 15 21 1 0 19 17 1 0 17 22 1 0 17 23 1 0 19 24 1 0 M END $$$$ RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -3.2355 0.3926 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 0.5275 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -0.2818 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 2.2798 0.5824 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -0.2889 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 0.4614 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -0.6855 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 -1.2428 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -0.1875 -1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 0.4293 -2.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 1.5182 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 0.1174 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -1.7480 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9802 -0.5989 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 -0.0498 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 0.2611 -2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -1.2487 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 1.1767 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.1982 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 0.9663 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -1.1047 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -0.0312 1.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 1.9064 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 1.2133 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 -1.5355 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 -1.9290 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 -0.1196 0.8764 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 15 20 1 0 21 15 1 0 20 22 1 0 20 23 1 0 20 24 1 0 22 21 1 0 21 25 1 0 21 26 1 0 22 27 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 3.4391 -0.1739 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 -0.1869 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.1687 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 1.2335 0.3161 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.1315 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 1.3392 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -1.1364 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 0.3803 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1716 0.9107 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 2.0160 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 1.9262 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 -0.7986 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 -1.8256 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -1.6691 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 0.0820 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 1.7982 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 0.3249 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 -0.2748 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.7283 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -0.7859 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 0.9626 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 -0.8425 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 -1.7863 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -0.3179 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 -0.0033 -0.8742 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.7485 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 1.4427 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 -0.4808 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 -1.8714 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 0.7541 -1.6275 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 12 1 0 12 18 1 0 12 19 1 0 15 20 1 0 21 15 1 0 20 22 1 0 20 23 1 0 20 24 1 0 25 21 1 0 21 26 1 0 21 27 1 0 22 25 1 0 22 28 1 0 22 29 1 0 25 30 1 0 M END $$$$ RDKit 3D 21 22 0 0 0 0 0 0 0 0999 V2000 2.8501 0.7239 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 1.5165 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 0.4687 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 1.4626 1.8705 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -0.5202 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -0.2072 0.2067 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3244 -1.2538 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 -0.9995 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 0.3332 -0.8818 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5695 -1.0641 -0.3965 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3696 0.1419 1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 1.0933 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.4834 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9426 -1.1450 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -1.8810 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 0.0171 -0.3886 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.6973 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 1.7493 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -1.0884 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 -2.0786 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 0.5504 0.4729 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 6 9 1 0 10 6 1 0 6 11 1 1 9 12 1 0 10 9 1 0 9 13 1 6 14 10 1 0 10 15 1 6 12 16 1 0 12 17 1 0 12 18 1 0 16 14 1 0 14 19 1 0 14 20 1 0 16 21 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.7733 -0.6535 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 -1.7328 0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 -0.5232 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 0.2167 1.4778 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 -0.0595 0.4749 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2810 -0.8042 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 1.3706 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -0.0839 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 0.2188 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -1.7503 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -1.0192 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 1.5191 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 1.5392 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 2.1182 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 0.0257 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 0.0088 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -0.7322 -0.2157 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 -0.5595 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 0.9739 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4043 0.9515 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 -0.5899 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 -0.4343 -0.1723 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 5 1 0 5 7 1 0 5 8 1 1 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 9 15 1 0 12 9 1 0 16 9 1 0 15 17 1 0 15 18 1 0 15 19 1 0 17 16 1 0 16 20 1 0 16 21 1 0 17 22 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4920 -0.1733 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -1.0857 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 0.6111 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 -0.5067 -1.8459 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 0.2506 -0.1563 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0406 -0.0268 0.9230 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0251 -0.7792 -0.3551 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9966 1.1980 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 0.7652 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.5308 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 -0.4411 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 -1.8304 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 0.7844 -0.3264 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 1.7755 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9031 0.2495 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -0.2745 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 -1.2705 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 1.2846 -0.5271 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 6 6 9 1 0 7 6 1 0 6 10 1 1 11 7 1 0 7 12 1 1 9 13 1 0 9 14 1 0 9 15 1 0 13 11 1 0 11 16 1 0 11 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 18 19 0 0 0 0 0 0 0 0999 V2000 0.4817 1.8970 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 1.8186 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 2.5336 -1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 2.8215 0.3092 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 0.5665 -0.9808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9377 -0.7066 -0.1715 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2326 -0.5406 -1.0858 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4502 0.6803 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 -0.8927 1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -1.4209 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 -0.6317 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 -1.1453 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 -1.2722 0.9798 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 0.0310 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -1.6942 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 0.3652 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2286 -1.2542 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 -1.1553 2.5458 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 5 8 1 6 6 9 1 0 7 6 1 0 6 10 1 6 11 7 1 0 7 12 1 6 9 13 1 0 9 14 1 0 9 15 1 0 13 11 1 0 11 16 1 0 11 17 1 0 13 18 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3162 -0.1683 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.2183 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.1875 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.9622 1.1185 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0426 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.5042 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 1.2345 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7612 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.7721 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.2116 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9212 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.5111 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.2423 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.3912 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0588 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 1.4018 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -2.2160 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 0.9230 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 0.1412 0.3739 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6633 -0.9107 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.1776 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -1.5664 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -2.0481 1.1458 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -0.2266 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 0.7136 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8799 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -0.7926 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 0.7405 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.6505 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.2441 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 1.8333 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.5717 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -1.2772 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -1.4112 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.7768 0.6462 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.4143 0.0048 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.0330 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.9176 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.6519 1.7646 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 0.0314 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.0110 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 1.2560 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.2403 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -0.0661 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.8693 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.8840 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.1961 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.1941 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 1.2999 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2999 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -2.1447 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -1.2600 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.0745 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 0.7942 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 -0.9587 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 2.0971 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.2266 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -1.3482 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2321 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.1515 -1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3162 -0.1683 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.2183 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.1875 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.9622 1.1185 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0426 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.5042 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 1.2345 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7612 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.7721 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.2116 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9212 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.5111 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.2423 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.3912 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0588 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 1.4018 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -2.2160 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 0.9230 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 0.1412 0.3739 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 2.3727 -0.3234 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -1.2874 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -0.5087 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 1.0099 1.1358 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 0.2651 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 0.1111 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 -0.2680 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 1.3171 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 0.7014 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 0.5270 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8142 -1.2002 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 -0.0899 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0541 0.3323 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 1.7913 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 1.5997 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -0.0026 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -1.7624 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -1.9022 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -0.3099 1.6892 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 12 9 1 0 9 13 1 0 9 14 1 0 10 12 1 0 10 15 1 0 10 16 1 0 11 12 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6633 -0.9107 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.1776 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -1.5664 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -2.0481 1.1458 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -0.2266 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 0.7136 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8799 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -0.7926 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 0.7405 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.6505 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.2441 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 1.8333 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.5717 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -1.2772 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -1.4112 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.7768 0.6462 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.4143 0.0048 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.0330 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.9176 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.6519 1.7646 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 0.0314 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.0110 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 1.2560 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.2403 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -0.0661 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.8693 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.8840 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.1961 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.1941 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 1.2999 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2999 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -2.1447 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -1.2600 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.0745 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 0.7942 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 -0.9587 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 2.0971 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.2266 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -1.3482 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2321 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.1515 -1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3162 -0.1683 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.2183 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.1875 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.9622 1.1185 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0426 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.5042 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 1.2345 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7612 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.7721 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.2116 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9212 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.5111 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.2423 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.3912 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0588 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 1.4018 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -2.2160 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 0.9230 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 0.1412 0.3739 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6633 -0.9107 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.1776 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -1.5664 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -2.0481 1.1458 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -0.2266 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 0.7136 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8799 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -0.7926 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 0.7405 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.6505 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.2441 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 1.8333 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.5717 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -1.2772 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -1.4112 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.7768 0.6462 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.4143 0.0048 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.0330 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.9176 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.6519 1.7646 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 0.0314 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.0110 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 1.2560 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.2403 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -0.0661 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.8693 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.8840 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.1961 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.1941 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 1.2999 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2999 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -2.1447 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -1.2600 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.0745 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 0.7942 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 -0.9587 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 2.0971 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.2266 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -1.3482 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2321 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.1515 -1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3162 -0.1683 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.2183 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.1875 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.9622 1.1185 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0426 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.5042 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 1.2345 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7612 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.7721 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.2116 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9212 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.5111 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.2423 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.3912 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0588 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 1.4018 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -2.2160 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 0.9230 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 0.1412 0.3739 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 8 5 1 0 6 9 1 0 10 6 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 12 8 1 0 8 10 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 15 12 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 2.1504 0.4391 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 -0.3760 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 1.3450 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 0.6939 -0.9925 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 0.1478 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 -1.1838 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 1.2804 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -0.0328 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 -1.4757 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -1.1115 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 -1.9922 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 0.9785 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 2.2658 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 1.2876 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -0.2863 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.8835 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 0.8658 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 -1.5488 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 -2.4355 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 1.8291 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9397 0.8222 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 -0.6291 1.3354 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 5 6 1 0 7 5 1 0 8 5 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3162 -0.1683 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.2183 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.1875 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.9622 1.1185 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0426 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.5042 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 1.2345 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7612 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 0.7721 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.2116 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9212 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.5111 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.2423 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -1.3912 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0588 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 1.4018 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -2.2160 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 0.9230 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 0.1412 0.3739 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 5 6 1 0 7 5 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6633 -0.9107 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.1776 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -1.5664 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -2.0481 1.1458 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -0.2266 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 0.7136 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8799 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -0.7926 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 0.7405 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.6505 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.2441 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 1.8333 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.5717 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -1.2772 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -1.4112 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.7768 0.6462 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.4143 0.0048 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.0330 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.9176 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.6519 1.7646 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 0.0314 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.0110 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 1.2560 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.2403 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -0.0661 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.8693 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.8840 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.1961 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.1941 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 1.2999 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2999 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -2.1447 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -1.2600 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.0745 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 0.7942 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 -0.9587 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 2.0971 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.2266 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -1.3482 -2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2321 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.1515 -1.0038 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 1 1 0 6 5 1 0 5 7 1 0 5 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.5333 0.2265 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 0.9463 0.2942 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 1.0617 2.0633 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 0.9838 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 -0.0634 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 -0.9849 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.2019 -1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 1.1343 -1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 1.9836 -0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -0.8175 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 0.8689 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -0.6904 2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 0.0004 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 -1.4558 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 -1.7711 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -0.1376 0.0155 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 -0.7366 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.7512 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -1.8014 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 -1.0360 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 0.3920 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 -0.3879 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 1.3322 0.7224 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 2 1 0 13 21 1 0 13 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.1102 0.1928 -0.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 0.6379 -0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 1.1364 -1.3838 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1873 -0.2657 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 -0.6465 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 0.9979 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.9270 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 -1.2202 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 -0.9737 1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 1.5842 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 1.6901 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 0.5779 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -0.4918 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -2.0166 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -1.7218 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -0.3746 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -0.8392 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -2.0529 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 0.6441 -0.4444 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1348 2.0883 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 2.3940 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -1.2093 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 -0.1203 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 0.0746 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -1.1783 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 0.1658 0.8697 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 2.1631 -0.8933 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.3578 0.3171 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 1.1568 -0.7091 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 -1.3064 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 -0.8094 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -1.6922 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 -0.2748 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -2.3013 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9763 -1.4098 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -0.6302 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 1.1481 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -0.2908 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 0.0800 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -0.3136 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 -1.7128 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 1.3015 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 1.9195 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5597 1.3546 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.1614 0.4813 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -1.2468 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 0.4949 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -0.3383 -1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3116 1.1476 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 1.1193 1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 2.3459 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 0.9551 1.3475 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 29 30 0 0 0 0 0 0 0 0999 V2000 -2.3419 -0.1099 -1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 -0.2535 0.2432 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 0.9104 0.4276 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -0.7912 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -0.5674 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 0.9457 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.1304 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 -1.8525 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -0.7725 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 1.0081 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9733 -1.2232 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 0.4872 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 0.4989 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 1.7908 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 1.4996 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.6446 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 -1.7348 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -2.0012 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -0.2668 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 1.5361 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 0.5025 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 -0.0924 -0.3067 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.2729 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 1.3088 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.1149 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 -1.4441 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 -1.3138 1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.1266 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6389 1.0000 0.1441 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 12 7 1 0 13 10 1 0 10 14 1 0 10 15 1 0 11 16 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 16 22 1 0 16 25 1 0 16 26 1 0 2 19 1 0 19 27 1 0 19 28 1 0 22 29 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.2023 1.2750 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 0.6451 -0.3204 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1117 1.3781 0.5119 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 -0.1373 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 1.7110 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 2.0247 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 -0.5121 -1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -0.4857 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -0.6463 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 0.1503 -1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -1.6022 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 -0.1939 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 0.1853 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 -0.1513 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5064 -1.5737 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.5225 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -0.8480 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -0.1288 -0.2833 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3428 1.2384 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.1281 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 -0.0604 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 1.2743 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3212 -1.8921 -0.3659 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.2485 0.0010 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 0.6332 0.5968 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 0.0692 2.3376 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 0.9551 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.0344 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 -0.5307 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.9755 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 1.9665 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 0.5714 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2065 0.0128 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 -1.9622 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 -1.2959 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -0.3032 0.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 0.0623 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 -1.5727 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 1.7850 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7651 1.1857 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 0.6789 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 -0.3858 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 -1.8116 -0.4441 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 5 12 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 10 2 1 0 10 18 1 0 10 19 1 0 13 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.1861 0.8795 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 -0.1986 0.7559 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 0.3039 1.4219 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 0.2041 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 1.2284 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 1.7390 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0504 1.1664 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -0.5892 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 -0.7191 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 0.4400 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 2.0965 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8904 1.4347 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 -0.8411 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 0.0016 -2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -1.5290 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.8892 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 -0.2340 1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.6762 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 0.3763 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 1.0085 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 -0.4162 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 -1.9150 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 -1.8712 1.1031 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 16 1 0 10 19 1 0 10 20 1 0 13 2 1 0 13 21 1 0 13 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.4312 -1.0652 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -0.0468 -0.1835 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 0.7705 1.3454 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 -0.0615 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -1.9272 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -1.4707 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -0.5422 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 0.5372 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 0.8005 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0551 -0.5456 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 0.1570 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -1.5343 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 0.5708 0.8587 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 1.5095 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.1257 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 0.7438 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 1.8657 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -1.4788 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 -0.5044 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.3474 0.1826 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 9 4 1 0 10 7 1 0 7 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 13 1 0 10 18 1 0 10 19 1 0 13 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.6650 -1.1514 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 0.0369 0.1451 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2951 -0.2818 -0.6325 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -0.5218 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -1.7392 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6448 -1.8004 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -1.4067 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 0.5380 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2959 -0.0427 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 -0.6254 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -1.7940 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 -2.2783 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 1.1065 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 1.5009 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 0.0470 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 0.8012 0.2228 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.7520 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 -1.0979 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0049 1.3834 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 2.0020 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 2.0087 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 2.2742 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 1.7929 -0.0906 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 10 16 1 0 10 17 1 0 10 18 1 0 2 13 1 0 13 19 1 0 13 20 1 0 14 16 1 0 14 21 1 0 14 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.3168 -0.8526 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -0.5083 0.5785 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 0.7330 0.2899 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 0.2386 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -1.8313 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -0.9632 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -0.2771 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 0.8280 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 1.0035 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 -0.4404 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 0.4729 -1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 -1.2085 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0109 0.0257 1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 0.6383 0.9324 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 1.8794 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -1.4032 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 -0.4543 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -0.8278 1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 0.6245 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 2.3227 0.8366 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 0 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 10 14 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 13 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 0.3638 0.3869 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 0.1361 0.6772 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 1.6147 0.1546 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 1.2981 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -1.0318 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 0.5010 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 0.4163 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 2.2124 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 1.5827 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 -0.8819 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 -0.8709 -0.6664 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -1.8187 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 0.8156 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 0.3564 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -0.5289 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -1.7792 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 -2.4086 -0.8271 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 7 11 1 0 7 13 1 0 7 14 1 0 2 10 1 0 10 15 1 0 10 16 1 0 11 17 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5516 -1.4415 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -0.3783 0.7331 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 -0.4164 1.1400 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1735 -0.9298 -0.5436 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4933 -2.4047 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -1.5645 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 -1.1272 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 0.5466 -0.7905 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1696 -1.4141 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0929 -0.2189 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -0.9331 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -2.1755 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 0.9031 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 1.4350 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 0.6348 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.1900 0.3036 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 -0.5090 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -0.3921 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.5931 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 1.4015 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 1.2616 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 2.4815 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2459 2.4581 0.3270 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 6 10 16 1 0 10 17 1 0 10 18 1 0 2 13 1 0 13 19 1 0 13 20 1 0 14 16 1 0 14 21 1 0 14 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.3003 -0.9015 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -0.4736 0.5683 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 0.7380 0.1579 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 0.1778 -0.8500 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8278 -1.8651 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 -1.0776 -1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.3616 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 0.8664 0.5080 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5838 0.8894 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -0.4279 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 0.3438 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 -1.3317 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 0.1267 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3396 0.7084 0.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 1.9148 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 -1.3568 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -0.4474 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 -0.6900 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 0.7821 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4354 2.3859 0.7221 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 6 10 14 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 13 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5696 -1.1786 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 0.0053 0.3842 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -0.2955 -0.2545 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 -0.7199 -0.1582 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4317 -1.4414 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -2.0650 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -1.3103 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 0.7732 0.1130 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3386 -0.8972 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 -0.5794 -0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -1.2080 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -2.3809 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 1.1075 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 1.4541 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 0.9661 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 0.8938 -0.2983 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.8464 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -0.9739 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 1.1094 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 2.0834 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 1.3088 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8116 2.5406 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9729 1.6542 1.3733 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 6 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 16 1 0 10 17 1 0 10 18 1 0 2 13 1 0 13 19 1 0 13 20 1 0 14 16 1 0 14 21 1 0 14 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.5947 -1.1819 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -0.0598 0.3636 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -0.1175 -0.3246 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2324 -0.7471 0.4791 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9065 -2.1286 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 -1.3040 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -1.3933 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 0.7847 0.3645 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1733 -1.0010 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -0.5760 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 -1.4568 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 -2.4217 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 1.1434 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 1.2955 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 1.2099 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 0.8014 -0.4652 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 -1.0741 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -0.5960 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 1.3773 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0201 2.0174 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.9578 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 2.3910 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 2.0793 0.4186 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 16 1 0 10 17 1 0 10 18 1 0 2 13 1 0 13 19 1 0 13 20 1 0 14 16 1 0 14 21 1 0 14 22 1 0 16 23 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 1.3702 -0.9703 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 0.3369 -0.2497 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 0.5196 -0.2978 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 -0.8841 -0.2591 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8437 -1.7785 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -1.1765 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -0.2112 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 0.0525 0.9545 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5064 -1.8716 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 0.4906 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 0.5163 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 -0.9380 -1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 0.6667 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 1.0379 0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -0.5415 1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -0.2380 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 1.2700 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 0.2043 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.7486 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 1.7664 2.2162 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 8 4 1 0 4 9 1 1 10 7 1 0 7 11 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 1 10 14 1 0 10 16 1 0 10 17 1 0 2 13 1 0 13 18 1 0 13 19 1 0 14 20 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4825 -0.9685 -0.1129 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3750 -0.2881 0.8443 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 -1.0494 0.9459 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 -1.2100 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 0.3140 -0.9572 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8888 -1.8397 -0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5975 0.1452 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 -1.6015 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.9358 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.9822 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.6961 -0.8797 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 0.2473 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 0.7579 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 0.0286 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 1.7881 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 1.3817 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 2.5519 -1.3393 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 5 1 1 0 1 6 1 6 7 4 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 6 7 11 1 0 7 13 1 0 7 14 1 0 2 10 1 0 10 15 1 0 10 16 1 0 11 17 1 0 M END $$$$ RDKit 3D 17 18 0 0 0 0 0 0 0 0999 V2000 1.1849 0.9374 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 -0.3319 -0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -0.2031 0.7816 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 0.1119 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.6777 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 1.4389 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 -0.2326 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 0.6580 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -0.9557 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 0.0783 -0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 -1.2525 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.4521 -2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 1.7540 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 0.3048 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 -1.9875 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 -0.9135 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 -1.5363 0.3054 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 7 11 1 0 7 12 1 0 10 8 1 0 8 13 1 0 8 14 1 0 2 9 1 0 9 15 1 0 9 16 1 0 10 17 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 1.6940 0.6068 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -0.5719 0.3156 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4687 -0.1890 0.0912 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5606 -0.0472 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0519 1.5701 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 0.7345 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -0.9110 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 0.9539 -1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -0.7392 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -0.1195 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 -2.2160 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -1.1782 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 1.9050 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 0.4128 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 1.5436 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 -1.7763 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 -0.1775 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 1.3087 1.0401 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 -0.5388 1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 -0.2823 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -2.0340 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -2.7492 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0715 -2.8875 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 2.2434 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.7935 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 2.3451 1.9673 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 18 13 1 0 13 24 1 0 13 25 1 0 18 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.7836 -0.0888 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 0.2691 0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -0.4401 0.3142 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -0.2355 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 -1.0163 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 0.7022 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 1.0167 -0.0717 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2768 -1.5371 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5741 -0.4473 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 0.6103 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 2.1781 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 1.3873 -1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 -1.2653 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -2.3071 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 -1.9509 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -1.5043 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 0.0243 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 -0.3371 -0.5716 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.1827 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 1.5047 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 2.5147 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 3.0369 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 1.9114 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.2158 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 -0.8167 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -1.1760 0.1200 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 7 12 1 6 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 18 13 1 0 13 24 1 0 13 25 1 0 18 26 1 0 M END $$$$ RDKit 3D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.1963 0.1868 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 1.1076 0.8691 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 3.0054 0.3291 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5921 -0.8028 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 -0.3625 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 0.7145 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -1.0925 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 -1.7195 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 -0.3459 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -1.7072 -0.7324 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.1639 -1.7891 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 0.2450 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 0.1680 -0.6505 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.2975 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 1.7963 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 -1.8506 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6559 -1.4969 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -0.4829 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 0.7354 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 1.4404 0.4252 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 6 1 1 0 4 7 1 0 4 8 1 0 4 9 1 0 10 5 1 0 5 11 1 0 5 12 1 0 13 6 1 0 6 14 1 0 6 15 1 0 7 13 1 0 7 16 1 0 7 17 1 0 12 2 1 0 12 18 1 0 12 19 1 0 13 20 1 0 M END $$$$ RDKit 3D 23 24 0 0 0 0 0 0 0 0999 V2000 1.1954 1.2586 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 0.7356 -0.1671 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 1.4988 1.4172 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -0.1196 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 2.0964 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 1.5726 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 -0.7623 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 -0.1774 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -0.6336 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -0.1646 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 -2.1031 -0.9585 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 -0.5893 -2.3696 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 0.4698 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3848 0.3440 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 -1.2190 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 -1.2906 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -1.1608 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -0.1092 0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 0.8657 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 -0.6872 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 0.4429 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 1.5371 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 -1.8049 0.5542 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 9 4 1 0 7 10 1 0 11 7 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 2 9 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 18 13 1 0 13 21 1 0 13 22 1 0 18 23 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.9931 0.5687 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 0.2201 -0.9204 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -1.3181 -2.0698 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 -0.1028 0.1812 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5566 0.3198 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 1.6619 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 0.9216 0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.2486 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6462 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 1.3740 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 2.0027 1.2797 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 0.3785 2.1431 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -0.7446 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1205 -1.9626 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -1.8130 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 0.0448 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -0.4469 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5276 -1.7325 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 0.2877 -0.3406 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 1.9769 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 2.0725 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -1.5987 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 -0.3250 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 1.0351 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 -0.5032 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 -0.4224 0.9807 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 6 1 5 1 0 1 6 1 0 4 7 1 0 8 4 1 0 4 9 1 0 7 10 1 0 11 7 1 0 7 12 1 0 13 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 19 13 1 0 13 22 1 0 13 23 1 0 16 2 1 0 16 24 1 0 16 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 26 27 0 0 0 0 0 0 0 0999 V2000 0.8931 -1.9337 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -1.3062 -0.9162 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -1.1199 -2.8091 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -0.9712 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -2.7859 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 -2.3782 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 0.2767 -0.0462 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2229 -1.5199 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -0.6542 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.0967 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 0.9242 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 1.2787 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 0.4416 1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 0.3553 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -1.1785 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 1.5032 -1.4768 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 1.9371 0.6447 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -0.0803 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 0.7376 0.4013 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 2.2890 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 1.3235 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 1.3392 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.2990 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 0.4310 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.3832 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 1.8697 0.4088 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 7 4 1 6 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 19 1 0 13 22 1 0 13 23 1 0 18 2 1 0 18 24 1 0 18 25 1 0 19 26 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 -2.4633 -0.6169 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 0.4577 -0.6249 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 1.9546 0.2948 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 -0.2850 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 -1.5209 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 -0.8916 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0086 0.1046 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 0.5285 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.1456 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.6737 0.7645 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4252 -1.1551 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.2102 -0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -0.4500 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 1.4403 1.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 1.3566 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 -1.1555 -1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 -2.0683 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1443 -1.2497 -1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 0.8715 -1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 1.4063 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 2.1520 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -1.2114 0.0643 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -0.0370 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6483 -1.1497 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 2.2069 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 -0.2647 -1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -2.0308 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 1.7230 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 0.0618 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6927 -0.9155 -0.2862 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 7 10 1 0 11 7 1 0 12 7 1 0 10 13 1 0 14 10 1 0 10 15 1 6 16 11 1 0 11 17 1 0 11 18 1 0 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 14 25 1 0 22 16 1 0 16 26 1 0 16 27 1 0 2 19 1 0 19 28 1 0 19 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 -2.0860 -0.7464 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -0.1626 0.1859 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 0.6676 0.8791 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -0.0204 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 -1.7934 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -0.7886 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 -0.0258 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -0.4673 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 1.0078 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 1.2379 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 0.0465 -1.1981 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9625 -1.3014 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 0.9320 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 2.0493 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 1.6477 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 -1.2489 -1.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2564 0.6853 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 0.6265 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -1.0995 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 -1.5528 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -2.1854 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -0.0345 -0.4236 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 0.5727 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 1.8690 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -1.5646 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 0.7728 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 1.6977 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 -0.8243 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 -2.0588 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 -0.6525 0.2482 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 1 0 12 7 1 0 10 13 1 0 10 14 1 0 10 15 1 0 16 11 1 0 11 17 1 0 11 18 1 6 19 12 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 16 25 1 0 17 2 1 0 17 26 1 0 17 27 1 0 22 19 1 0 19 28 1 0 19 29 1 0 22 30 1 0 M END $$$$ RDKit 3D 27 29 0 0 0 0 0 0 0 0999 V2000 2.2138 -1.4015 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 -0.1638 -0.6137 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 -0.5050 -0.5468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 -1.1068 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -1.9961 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -2.0217 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 -0.2266 0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.0646 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -0.6614 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 0.0618 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 1.0092 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 0.7619 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 -0.9760 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 0.8805 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 0.7177 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.6298 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 1.6024 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 0.4009 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6804 1.8261 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 0.2559 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -1.6568 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -1.5445 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.9577 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 0.4854 2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 1.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 0.2734 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 0.7825 -0.0213 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 11 7 1 0 12 10 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 14 18 1 0 14 23 1 0 14 24 1 0 2 15 1 0 15 25 1 0 15 26 1 0 18 27 1 0 M END $$$$ RDKit 3D 27 29 0 0 0 0 0 0 0 0999 V2000 2.2138 -1.4015 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 -0.1638 -0.6137 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 -0.5050 -0.5468 I 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 -1.1068 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -1.9961 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -2.0217 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 -0.2266 0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.0646 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -0.6614 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 0.0618 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 1.0092 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 0.7619 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 -0.9760 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 0.8805 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 0.7177 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.6298 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 1.6024 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 0.4009 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6804 1.8261 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 0.2559 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -1.6568 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -1.5445 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.9577 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 0.4854 2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 1.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 0.2734 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 0.7825 -0.0213 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 0 1 6 1 0 7 4 1 0 4 8 1 0 4 9 1 0 10 7 1 0 11 7 1 0 12 10 1 0 10 13 1 0 10 14 1 0 15 11 1 0 11 16 1 0 11 17 1 0 18 12 1 0 12 19 1 0 12 20 1 0 13 18 1 0 13 21 1 0 13 22 1 0 14 18 1 0 14 23 1 0 14 24 1 0 2 15 1 0 15 25 1 0 15 26 1 0 18 27 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 18 12 1 0 12 21 1 0 12 22 1 0 18 15 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.2853 0.2543 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 2.2897 0.6346 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 0.1229 0.4922 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8747 -0.3542 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -0.1133 1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 0.7309 1.2699 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0995 0.4329 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -1.2503 0.5301 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0701 1.0445 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -0.6342 1.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2949 1.4093 2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 -0.9294 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 0.8671 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -2.1979 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 -0.3159 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 1.9908 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 -1.0730 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.6111 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8325 -0.6630 -0.4196 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 6 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 6 9 1 0 10 6 1 0 6 11 1 1 9 7 1 0 7 12 1 0 7 13 1 0 8 10 1 0 12 8 1 0 8 14 1 1 9 15 1 0 9 16 1 0 15 10 1 0 10 17 1 1 15 12 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3159 0.0216 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.4422 -1.4055 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0005 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.0073 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -0.7027 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.2008 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.9141 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.3020 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -0.2873 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.8911 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.1906 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.2042 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.6574 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.5446 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 0.0118 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -0.5297 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.6287 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.1895 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 0.0202 -0.4023 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.3734 -0.2620 0.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6719 0.8762 2.5372 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -0.1018 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 0.2124 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -1.3162 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 1.1542 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 -0.8033 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.5142 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 0.1054 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 1.2639 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 -0.3752 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -0.0044 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 1.9115 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 1.6580 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -1.8969 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -0.4963 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -1.5793 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.0676 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 0.1004 -1.0414 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 1 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 7 12 1 0 7 15 1 0 7 16 1 0 8 12 1 0 8 17 1 0 8 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 7 1 0 9 5 1 0 5 11 1 0 6 12 1 0 6 13 1 0 12 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3159 0.0216 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.4422 -1.4055 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0005 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.0073 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -0.7027 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.2008 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.9141 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.3020 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -0.2873 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.8911 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.1906 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.2042 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.6574 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.5446 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 0.0118 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -0.5297 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.6287 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.1895 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 0.0202 -0.4023 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 6 9 1 0 10 6 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 10 1 0 12 8 1 0 8 14 1 0 9 15 1 0 9 16 1 0 15 10 1 0 10 17 1 0 15 12 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 18 12 1 0 12 21 1 0 12 22 1 0 18 15 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 7 1 0 9 5 1 0 5 11 1 0 6 12 1 0 6 13 1 0 12 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3159 0.0216 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.4422 -1.4055 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0005 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.0073 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -0.7027 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.2008 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.9141 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.3020 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -0.2873 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.8911 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.1906 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.2042 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.6574 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.5446 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 0.0118 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -0.5297 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.6287 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.1895 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 0.0202 -0.4023 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 19 21 0 0 0 0 0 0 0 0999 V2000 3.1126 0.4072 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 1.5041 0.3340 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 0.9452 0.1349 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -0.9535 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -0.1002 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 -1.2958 0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -1.7614 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 0.0100 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 0.5869 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 0.7897 0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -1.1231 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 0.1618 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 0.0405 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 1.6587 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 0.4353 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 1.8819 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -1.6698 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 -1.8413 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4124 0.3240 -0.3374 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 2 0 5 3 2 0 4 6 1 0 4 7 1 0 5 8 1 0 6 5 1 0 8 9 1 0 10 8 1 0 11 8 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 10 1 0 10 15 1 0 10 16 1 0 12 11 1 0 11 17 1 0 11 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 9 5 1 0 5 7 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.1487 -0.9248 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4651 -2.4407 2.0588 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 -0.9856 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -0.8042 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 0.4895 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 0.4462 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 -1.7223 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -1.2289 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 0.6277 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -1.5470 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -0.9135 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 1.1584 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6533 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.7825 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.4641 -2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 0.8863 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 0.6395 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 1.2018 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 3.2176 -0.1342 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 12 1 0 6 15 1 0 6 16 1 0 12 9 1 0 9 17 1 0 9 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 9 5 1 0 5 7 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 0.1487 -0.9248 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4651 -2.4407 2.0588 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 -0.9856 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -0.8042 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 0.4895 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 0.4462 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 -1.7223 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -1.2289 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 0.6277 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -1.5470 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -0.9135 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 1.1584 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6533 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.7825 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.4641 -2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 0.8863 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 0.6395 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 1.2018 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 3.2176 -0.1342 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 12 1 0 6 15 1 0 6 16 1 0 12 9 1 0 9 17 1 0 9 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3159 0.0216 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.4422 -1.4055 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0005 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.0073 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -0.7027 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.2008 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.9141 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.3020 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -0.2873 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.8911 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.1906 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.2042 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.6574 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.5446 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 0.0118 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -0.5297 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.6287 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.1895 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 0.0202 -0.4023 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 12 7 1 0 7 13 1 0 10 8 1 0 8 12 1 0 8 14 1 0 15 9 1 0 9 16 1 0 10 15 1 0 10 17 1 0 12 15 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 9 4 1 0 4 10 1 0 7 5 1 0 5 9 1 0 5 11 1 0 12 6 1 0 6 13 1 0 7 12 1 0 7 14 1 0 9 12 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 9 1 0 7 12 1 0 7 13 1 0 8 9 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 6 1 0 4 9 1 0 4 10 1 0 5 6 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.3734 -0.2620 0.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6719 0.8762 2.5372 I 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -0.1018 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 0.2124 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -1.3162 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 1.1542 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 -0.8033 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -0.5142 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 0.1054 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 1.2639 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 -0.3752 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -0.0044 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 1.9115 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 1.6580 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -1.8969 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -0.4963 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -1.5793 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.0676 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 0.1004 -1.0414 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 1 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 12 6 1 0 6 13 1 0 6 14 1 0 7 12 1 0 7 15 1 0 7 16 1 0 8 12 1 0 8 17 1 0 8 18 1 0 12 19 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 9 6 1 0 6 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 18 9 1 0 9 19 1 0 9 20 1 0 12 18 1 0 12 21 1 0 12 22 1 0 15 18 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 15 6 1 0 6 16 1 0 6 17 1 0 9 15 1 0 9 18 1 0 9 19 1 0 12 15 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 16 20 0 0 0 0 0 0 0 0999 V2000 1.0379 0.4465 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.1613 -1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 0.4100 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 1.0092 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.9710 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.9710 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.0092 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7393 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -0.4100 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 1.8335 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.7824 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.4465 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.7824 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -1.8335 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -0.7394 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -1.1613 1.8399 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 1 4 1 0 5 1 1 0 3 6 1 0 7 3 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 5 7 1 0 9 5 1 0 5 11 1 0 6 12 1 0 6 13 1 0 12 7 1 0 7 14 1 0 12 9 1 0 9 15 1 0 12 16 1 0 M END $$$$ RDKit 3D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.8795 -0.4127 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.3044 0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.2126 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -0.8230 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.0356 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 0.4127 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 0.4650 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.1156 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7284 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -1.7898 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.3249 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8439 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3044 -0.0015 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 6 4 1 0 4 9 1 0 4 10 1 0 6 5 1 0 5 11 1 0 5 12 1 0 6 13 1 0 M END $$$$ RDKit 3D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.2641 0.2528 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6673 -0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -0.3559 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.7474 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 1.5495 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -0.6533 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.2831 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.3261 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.0449 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.6869 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -0.3521 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.2520 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 2.0168 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 2.2911 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.2528 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -1.7204 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -0.1113 2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -2.1242 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.7893 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.8538 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.5795 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -0.6673 0.5571 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 1 1 0 3 6 1 0 3 7 1 0 3 8 1 0 9 4 1 0 4 10 1 0 4 11 1 0 12 5 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 15 9 1 0 9 18 1 0 9 19 1 0 15 12 1 0 12 20 1 0 12 21 1 0 15 22 1 0 M END $$$$ RDKit 3D 19 23 0 0 0 0 0 0 0 0999 V2000 -2.3159 0.0216 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.4422 -1.4055 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0005 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.0073 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 -0.7027 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -1.2008 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.9141 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.3020 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -0.2873 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.8911 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.1906 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 1.2042 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.6574 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.5446 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 0.0118 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -0.5297 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.6287 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.1895 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 0.0202 -0.4023 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 6 3 1 0 3 7 1 0 8 3 1 0 6 9 1 0 10 6 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 8 10 1 0 12 8 1 0 8 14 1 0 9 15 1 0 9 16 1 0 15 10 1 0 10 17 1 0 15 12 1 0 12 18 1 0 15 19 1 0 M END $$$$ RDKit 3D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8582 -0.3705 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.8672 0.6140 I 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -0.0790 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -0.1969 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.4234 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 1.2246 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2524 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -0.7963 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.1949 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 1.5969 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.4371 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.2684 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -0.6244 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.8664 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 0.4870 0.7295 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 7 1 0 7 12 1 0 7 13 1 0 9 8 1 0 8 14 1 0 8 15 1 0 9 16 1 0 M END $$$$ RDKit 3D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2925 0.0439 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.3622 0.3921 I 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0220 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -0.9044 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.8287 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -0.2194 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.3612 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.1213 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -0.2568 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 0.5694 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1641 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.3195 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 1.5894 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 2.1902 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.1537 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -1.0064 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -2.0888 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.0429 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.5136 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -1.2184 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 2.1390 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 1.5135 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -2.1429 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -1.0394 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -0.0940 1.3343 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 6 1 0 7 3 1 0 8 3 1 0 6 9 1 0 6 10 1 0 6 11 1 0 12 7 1 0 7 13 1 0 7 14 1 0 15 8 1 0 8 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 9 20 1 0 18 12 1 0 12 21 1 0 12 22 1 0 18 15 1 0 15 23 1 0 15 24 1 0 18 25 1 0 M END $$$$