HMDB0015247 RDKit 3D Nifedipine 43 44 0 0 0 0 0 0 0 0999 V2000 4.4009 -2.0402 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -1.0191 -0.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -1.0436 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 -2.0586 0.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2248 0.0723 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.1263 -1.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 1.1650 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 2.2722 -1.6445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 2.2205 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 3.4580 -1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 1.1921 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4069 1.2706 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.2631 -0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0304 0.1804 0.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 0.2931 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -0.0283 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.6192 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2585 0.0980 2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.4326 3.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 -1.7490 3.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 -2.4688 2.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 -1.9070 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -2.8258 -0.0060 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0235 -4.0695 0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 -2.4565 -1.2080 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6594 -2.6340 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1263 -2.7052 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3644 -1.5508 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 2.1698 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 0.4360 -2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 1.1761 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 3.1024 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 4.1250 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 3.1697 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 3.9654 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9408 -0.6794 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 0.9878 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 0.7411 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 -0.7497 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 1.1005 1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 0.1236 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.1648 4.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -3.5069 2.4275 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 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 11 16 1 0 16 17 1 0 17 18 2 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 23 25 1 0 16 5 1 0 22 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 M CHG 2 23 1 25 -1 M END