HMDB0060583 RDKit 3D Trandolaprilat 59 61 0 0 0 0 0 0 0 0999 V2000 -0.2218 0.2463 -1.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 0.7026 -0.5062 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7368 -0.1405 0.2318 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 -0.5112 -0.3703 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1592 -0.4429 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 -0.9656 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -0.4580 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -0.1762 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 0.4520 1.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0266 0.6902 0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8379 0.3654 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 -0.1959 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -1.8830 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 -2.1488 -2.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 -2.8905 -0.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 0.6205 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 0.1057 1.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 1.0042 -0.3895 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3324 2.2951 -0.1948 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4794 3.1568 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 2.7583 1.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 4.5236 0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6542 1.9168 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 0.4162 0.6094 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8471 -0.3103 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5029 -1.7830 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 -2.0564 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 -1.3306 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 0.1264 -0.7279 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2060 -0.8354 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 0.6264 -2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 0.7134 -2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 1.7397 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 -0.9156 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 0.2088 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 -1.2297 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3015 0.4951 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.6040 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -2.0669 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 -0.4897 2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 0.8378 2.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9156 1.2573 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5371 0.6066 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 -0.4083 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -3.8377 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 2.8240 -1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 4.9383 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5295 2.1763 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 2.4230 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 0.0350 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5998 0.0481 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 -0.2653 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.9686 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 -2.4431 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 -3.1531 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 -1.9373 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 -1.4374 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -1.8144 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 0.3896 -1.5654 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 4 13 1 0 13 14 2 0 13 15 1 0 2 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 12 7 1 0 29 18 1 0 29 24 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 6 3 34 1 0 4 35 1 6 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 15 45 1 0 19 46 1 6 22 47 1 0 23 48 1 0 23 49 1 0 24 50 1 1 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 28 58 1 0 29 59 1 6 M END