HMDB0014545 RDKit 3D Nisoldipine 52 53 0 0 0 0 0 0 0 0999 V2000 -5.2331 0.4626 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 0.0700 0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -1.2011 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3654 -1.9711 -0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 -1.5689 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7015 -2.7939 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 -3.7406 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 -3.2093 -0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 -2.2861 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -2.7539 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -1.0629 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -0.1493 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 1.0061 1.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.4784 0.8851 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 0.1951 1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 1.3089 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 2.4752 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 0.8242 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6102 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 0.7965 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 1.6256 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 2.9620 1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 3.5462 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 2.7767 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 1.3975 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 0.7427 -2.0605 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9366 1.1773 -3.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 -0.3119 -2.0868 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4397 0.9350 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9286 -0.3877 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3893 1.1767 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 -3.9900 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2141 -4.7227 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -3.4933 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -4.2070 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -2.2120 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 -3.8165 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 -2.7522 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 0.5391 2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.5511 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 1.7398 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5915 2.2933 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 3.3385 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 2.7929 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 0.2280 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 0.1891 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 1.7233 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -0.6727 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 1.2209 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 3.5827 1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0239 4.5953 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 3.2215 -2.0646 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 15 16 1 0 16 17 1 0 16 18 1 0 11 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 19 5 1 0 25 20 1 0 1 29 1 0 1 30 1 0 1 31 1 0 7 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 10 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 M CHG 2 26 1 28 -1 M END