HMDB0015328 RDKit 3D Captopril 29 29 0 0 0 0 0 0 0 0999 V2000 3.0375 0.8066 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 0.6013 -0.1265 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1749 -0.4486 0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.1539 1.9175 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 0.0195 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -0.3572 -2.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -0.1512 -0.6209 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -0.7088 -1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 0.1516 -1.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 0.7762 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 0.2066 0.6252 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4886 -1.0042 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 -2.1339 1.0418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -0.8614 2.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -0.1418 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 1.6293 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 1.1382 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 1.5390 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -0.5766 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -1.3816 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 0.9361 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -1.7568 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.6707 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7589 -0.4833 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9584 0.9215 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 0.5545 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 1.8629 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 0.9276 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -1.5486 3.4289 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 1 3 19 1 0 3 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 1 14 29 1 0 M END