HMDB0014943 RDKit 3D Minaprine 44 46 0 0 0 0 0 0 0 0999 V2000 1.0144 -2.4183 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -1.2449 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 -1.0349 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 0.0399 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 0.3104 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.4218 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 1.7077 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 0.8657 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 -0.2646 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -0.5267 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 0.8911 -0.3172 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 0.7249 -0.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 -0.3175 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 -0.5062 0.5711 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 0.4149 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0531 -0.0649 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 0.7581 -0.2056 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 0.7530 -1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4821 -0.0025 -2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6351 0.3061 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4785 1.0394 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2915 0.5658 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 -2.1254 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -3.0773 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 -2.9773 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -1.7431 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5946 2.1106 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 2.6100 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 1.1173 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9743 -0.8966 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 -1.4216 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -1.3389 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 1.3847 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 0.5640 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 -0.0376 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 -1.1426 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 0.2706 -2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 1.7992 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6465 0.3063 -3.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3404 -1.0894 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2241 2.0984 -0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 0.9938 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4276 -0.4725 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 1.2864 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 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 4 11 2 0 11 12 1 0 12 13 2 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 1 0 20 21 1 0 21 22 1 0 13 2 1 0 22 17 1 0 10 5 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 M END