HMDB0013962 RDKit 3D Verapamil metabolite D-617 47 47 0 0 0 0 0 0 0 0999 V2000 4.7430 -0.6411 -2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 0.6503 -2.6052 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 0.9926 -1.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 0.1301 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 0.6266 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 0.0043 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -1.4558 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -2.5946 1.1675 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.1061 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 0.8467 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 0.8648 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 0.1552 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 0.1371 -1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 0.7513 -2.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 -0.6155 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -1.3251 0.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -2.1574 1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -0.6033 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 0.5177 2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 1.9871 2.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -0.2321 3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 -0.8189 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -0.7012 -3.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 -1.4312 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8957 1.3737 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 0.9173 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 2.0442 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 0.2267 -1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6945 -0.9376 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 1.7476 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 0.4792 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0431 1.4440 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 1.4866 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2758 -0.0090 -3.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 1.3515 -3.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 1.4400 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -2.9653 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.6619 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0573 -2.6793 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -1.2250 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 0.2955 2.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 2.3549 2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 2.1940 3.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 2.5363 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.0754 3.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -0.0460 4.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -1.3442 3.2306 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 1 0 7 8 3 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 6 19 1 0 19 20 1 0 19 21 1 0 18 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 10 32 1 0 11 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 M END