HMDB0240246 RDKit 3D Deptropine 52 56 0 0 0 0 0 0 0 0999 V2000 4.2434 -2.1734 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -0.7586 -0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 -0.1925 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 1.3033 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 1.3238 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -0.1550 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -0.6079 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 -0.0737 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.4753 0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 0.5352 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 0.4429 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 1.0967 -2.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 1.1632 -3.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 0.5648 -3.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 -0.0891 -2.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -0.1482 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8605 -0.8977 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 -1.5252 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -0.4307 1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -0.3972 2.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 0.5684 3.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 1.4687 3.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 1.4342 2.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.4732 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -0.6089 -1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -2.6000 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -2.4680 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 -2.6793 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 -0.3221 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 1.7412 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 1.8559 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 1.9148 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5612 1.6977 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 -0.3216 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 -0.2493 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.7015 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 1.0372 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.5538 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 1.5604 -2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 1.6746 -4.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 0.5938 -4.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 -0.5645 -2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.3079 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3171 -1.7388 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 -2.1491 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.1992 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1466 -1.0983 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 0.6278 4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 2.2246 4.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 2.1382 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 -0.3305 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 -1.7311 -1.0055 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 8 25 1 0 6 2 1 0 24 10 1 0 25 3 1 0 16 11 1 0 24 19 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 25 51 1 0 25 52 1 0 M END