HMDB0014246 RDKit 3D O-Desmethylverapamil (D-703) 68 69 0 0 0 0 0 0 0 0999 V2000 -7.8326 -1.1186 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2195 -2.3032 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8885 -2.5468 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -1.5228 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 -1.7251 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5852 -0.6186 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 -0.9256 -1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -1.1822 -2.4011 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -0.7175 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 0.1667 1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.1534 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 1.1391 0.8064 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1405 0.8854 2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5361 2.3632 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 2.2907 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 1.8698 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 2.9113 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 2.6278 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 1.3129 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5465 1.0642 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7978 1.2070 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.2725 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9261 -0.9854 -0.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -2.1618 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 0.5757 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 0.6745 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 1.8798 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 0.9903 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 -3.0142 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -4.0379 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -3.8075 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -4.8230 0.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2008 -1.1854 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2472 -0.1954 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7869 -0.9324 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 -0.5551 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -0.7407 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 -1.7692 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 -0.2331 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 1.2082 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.2692 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -0.8532 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 1.4133 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 1.1545 2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 -0.2047 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 3.0877 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 2.7386 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 1.5828 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2822 3.3150 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 3.9545 -0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 3.4136 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 1.9144 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4078 1.6694 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 0.2479 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -2.2454 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 -3.0267 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -2.3364 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -0.2533 -1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 0.6376 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 2.5939 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 2.5023 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5105 1.6410 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1129 1.4106 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 0.0691 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6052 1.7993 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 -3.2355 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -5.0059 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3035 -4.7449 0.5864 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 1 0 6 7 1 0 7 8 3 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 6 26 1 0 26 27 1 0 26 28 1 0 5 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 3 1 0 25 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 13 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 18 51 1 0 21 52 1 0 21 53 1 0 21 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 27 60 1 0 27 61 1 0 27 62 1 0 28 63 1 0 28 64 1 0 28 65 1 0 29 66 1 0 30 67 1 0 32 68 1 0 M END