HMDB0005018 RDKit 3D Amlodipine 53 54 0 0 0 0 0 0 0 0999 V2000 0.0624 -4.6651 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 -3.5480 -2.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -2.3024 -1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -1.6907 -1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -2.3691 -1.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.3650 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 0.2111 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 -0.4629 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 0.2217 -0.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 1.3988 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 1.3944 1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 2.7163 1.5911 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 1.4475 0.9279 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 2.0422 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 3.3421 1.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 1.4996 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 2.1809 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3008 3.2185 1.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2934 1.6361 -0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 2.2750 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 0.3151 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -0.5675 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -1.1397 0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -1.9991 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -2.3202 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -1.7496 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 -0.8834 -1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 -0.1801 -3.0661 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4845 -4.6699 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 -4.7093 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 -5.6239 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 -3.7861 -2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 -3.4813 -3.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 -0.3558 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -1.5349 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 2.3094 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2645 1.5704 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 1.0640 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 0.6544 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 3.4005 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 3.0900 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 1.8763 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0581 3.5582 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 4.1593 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 3.1400 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 3.3620 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0416 2.0007 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 1.8968 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 0.7280 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -0.8761 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6892 -2.4392 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -2.9981 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3247 -1.9917 -2.3072 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 7 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 16 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 21 6 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 15 43 1 0 15 44 1 0 15 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 M END