HMDB0251100 RDKit 3D Dexverapamil 71 72 0 0 0 0 0 0 0 0999 V2000 6.5350 4.3703 2.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6562 2.9697 1.7889 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 2.3491 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 3.0787 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 2.4282 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 1.0661 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 0.4356 -1.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.0261 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9216 -0.6431 -1.8094 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 0.0850 -2.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.9815 -1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -2.1142 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -1.3127 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 -1.2820 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 -2.7152 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 -3.8166 1.1838 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -0.5952 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 0.3671 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 1.0059 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9005 0.6925 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 1.2745 -0.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7102 2.2488 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -0.2675 -1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9059 -0.6052 -2.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3223 -1.5756 -3.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 -0.8851 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 -0.7898 2.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 -1.5940 2.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.6476 2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 0.3938 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 1.0024 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 0.2652 1.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0506 -1.1087 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 4.5292 2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 4.7431 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 4.8868 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 4.1240 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 3.0107 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -0.4279 -2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 1.1422 -2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -0.7132 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 0.8469 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 1.1527 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8104 0.2084 -3.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 -0.2847 -2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -2.3713 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.6434 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6778 -1.7723 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2558 -3.1648 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 -0.2583 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -1.7533 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 0.6637 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7579 1.7636 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9977 3.0672 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1525 1.8134 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5723 2.7104 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -2.4828 -2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1091 -1.9325 -3.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5108 -1.1289 -3.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 -1.6223 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 -0.8121 2.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 -1.0494 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 -1.7135 3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -2.6114 2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1327 0.6928 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 1.2198 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 1.1450 3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 -0.6770 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9141 -1.4710 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1082 -1.6560 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 -1.3218 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 3 0 14 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 23 26 2 0 14 27 1 0 27 28 1 0 27 29 1 0 6 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 31 3 1 0 26 17 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 18 52 1 0 19 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 25 58 1 0 25 59 1 0 26 60 1 0 27 61 1 0 28 62 1 0 28 63 1 0 28 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 33 69 1 0 33 70 1 0 33 71 1 0 M END