HMDB0015213 RDKit 3D Diphenoxylate 66 69 0 0 0 0 0 0 0 0999 V2000 6.9123 2.1425 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 1.7796 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 1.1095 0.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 0.6809 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 0.8806 2.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -0.0343 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 -1.2007 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1304 -1.9398 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 -3.0511 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -3.4595 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -2.7509 -2.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -1.6457 -1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 0.9684 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 1.8587 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.1178 -0.1222 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 1.9290 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 1.7624 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 0.5056 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 0.2522 2.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 0.0478 3.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -0.6742 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -1.9096 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6703 -3.0696 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -2.9895 -1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 -1.8039 -2.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6098 -0.6610 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 0.7534 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3184 1.1746 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 1.4219 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5482 1.2463 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0254 0.8225 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 0.5824 1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -0.1775 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 -0.3505 1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 3.1862 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 1.4890 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 1.9894 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 2.7363 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 1.1737 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.6458 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -3.5897 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2212 -4.3240 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -3.0709 -3.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.1138 -2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 0.4853 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 1.5542 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 1.9563 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 2.8125 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 3.0006 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9106 2.0300 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 2.6084 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 2.0492 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -1.9457 1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -4.0248 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -3.9030 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -1.8233 -3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 0.2765 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 1.3282 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0757 1.7547 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6318 1.4411 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6753 0.6795 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2603 0.2419 2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -0.4603 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 -0.9439 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -1.4389 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 0.1731 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 3 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 18 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 15 33 1 0 33 34 1 0 34 6 1 0 12 7 1 0 26 21 1 0 32 27 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 28 58 1 0 29 59 1 0 30 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 33 64 1 0 34 65 1 0 34 66 1 0 M END