HMDB0014718 RDKit 3D Mazindol 33 36 0 0 0 0 0 0 0 0999 V2000 0.5446 0.0754 -2.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 -0.0674 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.1165 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 1.0870 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 1.3425 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 0.6068 1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 0.8958 2.3373 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -0.3564 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 -0.5860 1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 0.9117 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 2.3133 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 3.0358 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 2.3877 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2037 1.0115 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 0.2899 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 -1.1610 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 -2.2461 -0.1717 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -3.3648 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 -2.8054 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 -1.3408 -0.6652 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 0.1261 -2.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 1.7072 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 2.1029 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0809 -0.9587 2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 -1.3382 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 2.7771 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 4.1214 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 2.9924 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 0.5079 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0388 -3.9342 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 -4.0389 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5495 -3.1042 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -3.1066 -1.7966 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 6 8 1 0 8 9 2 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 2 1 0 9 3 1 0 15 10 1 0 20 16 1 0 1 21 1 0 4 22 1 0 5 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 18 30 1 0 18 31 1 0 19 32 1 0 19 33 1 0 M END