HMDB0042005 RDKit 3D Quinaprilat 56 58 0 0 0 0 0 0 0 0999 V2000 0.1154 1.3132 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 0.0095 0.2201 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0770 -0.6025 -0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.3774 0.3789 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4011 -1.2471 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 0.1521 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 0.2862 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 0.6550 -1.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9271 0.7574 -2.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9189 0.4689 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6366 0.0929 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 0.0060 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -1.4362 1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.7619 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8071 -2.3452 2.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -0.0573 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 -0.2524 -2.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 0.0729 -0.4908 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 -0.0556 -1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8715 0.2763 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 -0.1806 -1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2523 0.1323 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 0.8991 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3569 1.3581 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0595 1.0395 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 1.5082 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 0.2979 0.8811 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6572 -0.9076 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0916 -0.8417 2.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -2.0531 0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.3584 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 2.0411 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 1.8308 0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 -0.7568 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 -0.0406 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -2.4955 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -2.0086 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -1.5290 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 0.3761 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 0.8516 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 0.8949 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1206 1.0690 -3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 0.5491 -1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4622 -0.1232 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1025 -0.3011 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -2.2633 3.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2425 0.5961 -2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -1.1159 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -0.7719 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1275 -0.2170 -1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4081 1.1722 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4769 1.9729 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 2.2883 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 1.8307 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1269 0.5261 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7068 -2.9412 1.1108 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 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 12 7 1 0 27 18 1 0 25 20 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 1 3 35 1 0 4 36 1 6 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 15 46 1 0 19 47 1 0 19 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 26 53 1 0 26 54 1 0 27 55 1 1 30 56 1 0 M END