HMDB0013961 RDKit 3D O-Desmethylverapamil (D-702) 68 69 0 0 0 0 0 0 0 0999 V2000 9.3127 0.4486 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 0.0678 -1.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 0.4216 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6334 1.1794 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 1.5162 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 1.0849 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.4183 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 0.2845 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 0.4090 1.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 1.4477 2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 -0.9011 1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -1.1056 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 -0.7427 1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -1.2855 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 -0.9323 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 -0.6527 -1.3659 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 -0.4931 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -1.0411 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7432 -0.2671 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 1.0907 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6996 1.8863 -1.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9092 1.2610 -1.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 1.6549 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 3.0235 -0.7756 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 3.7374 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 0.8963 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 -2.7365 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -3.6027 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -3.2709 1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 0.3238 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 -0.0107 -2.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -0.7761 -3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2194 0.5087 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1490 -0.2802 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 1.4716 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4949 1.5245 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2189 2.1141 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 2.3354 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 1.5092 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 -0.7171 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 0.2768 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 2.3982 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 1.6993 2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 1.3626 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -1.2113 2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -1.5851 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.5347 3.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 -2.1653 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 0.3954 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6959 -0.8782 2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -2.1217 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6585 -0.7586 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1976 0.5658 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7366 2.0109 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8086 0.6907 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 4.8039 -0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 3.2295 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9094 3.6649 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 1.3551 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -2.9331 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4512 -4.5762 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -3.1237 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0959 -3.9543 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1286 -2.5068 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 -4.0252 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9582 -3.8582 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -0.0057 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.0153 -3.4556 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 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 3 0 14 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 23 26 2 0 14 27 1 0 27 28 1 0 27 29 1 0 6 30 1 0 30 31 2 0 31 32 1 0 31 3 1 0 26 17 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 10 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 18 51 1 0 19 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 27 60 1 0 28 61 1 0 28 62 1 0 28 63 1 0 29 64 1 0 29 65 1 0 29 66 1 0 30 67 1 0 32 68 1 0 M END