HMDB0014537 RDKit 3D Nimodipine 56 57 0 0 0 0 0 0 0 0999 V2000 7.1057 -0.6094 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3095 0.0210 -0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 -0.2936 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 0.3435 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 0.0236 -0.4187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -1.2590 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9291 -2.2226 -0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -1.4879 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 -2.7159 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -3.9020 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 -2.9690 0.3607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -1.8528 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 -2.1015 0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -0.6003 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 0.5132 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 1.6676 0.8022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 0.3868 1.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 1.4171 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 1.2359 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7559 1.4654 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.2977 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.6688 -0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 0.3251 -2.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 1.1708 -3.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 2.4146 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7055 2.7790 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 4.0326 -1.7827 N 0 0 0 0 0 4 0 0 0 0 0 0 1.8932 4.3860 -0.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 4.8655 -2.8606 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6391 1.8927 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8549 -0.2759 1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 -1.7035 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1874 -0.3089 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 0.1188 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 -1.4102 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 1.4347 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -0.0014 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -3.9401 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 -3.9568 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -4.8352 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -3.9630 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0098 -1.7096 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 -1.7198 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 -3.2191 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 2.4325 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2322 1.1595 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8295 2.0566 3.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7224 0.3016 3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 2.1027 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6218 1.9161 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0339 0.4518 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.2676 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.6546 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 0.9124 -4.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 3.0609 -3.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 2.1855 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 14 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 26 30 2 0 21 8 1 0 30 22 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 10 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 30 56 1 0 M CHG 2 27 1 29 -1 M END