HMDB0015398 RDKit 3D Varenicline 29 32 0 0 0 0 0 0 0 0999 V2000 4.4015 -0.2967 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 -0.1382 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -0.0834 -1.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -0.1863 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -0.1305 -1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1221 -0.2349 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 -0.3946 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -0.4479 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -0.3448 0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 -0.3994 1.4703 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 -0.5022 0.6069 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4236 0.8228 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 1.3484 -0.4328 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 1.2164 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -0.1995 -1.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2762 -1.0622 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -0.3367 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 -0.0584 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -0.0058 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6511 -0.5741 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -1.2143 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 0.6624 1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 1.5552 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 1.0999 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 1.9360 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 1.5691 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.5583 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -0.9215 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 -2.1205 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 10 1 1 0 16 11 1 0 9 4 1 0 15 6 1 0 1 17 1 0 2 18 1 0 5 19 1 0 8 20 1 0 11 21 1 1 12 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 14 26 1 0 15 27 1 6 16 28 1 0 16 29 1 0 M END