HMDB0015331 RDKit 3D Bromocriptine 83 89 0 0 0 0 0 0 0 0999 V2000 -4.1963 3.5565 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 3.2632 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 4.4832 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 2.0334 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 0.7854 0.3988 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2567 0.4861 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 1.2973 -0.9257 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 -0.6772 -1.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -0.9804 -2.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 -2.4659 -3.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 -2.5986 -2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -1.7821 -0.9874 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0782 -1.2418 -0.3427 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3602 -0.5941 -1.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -2.2417 0.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -1.8516 1.4575 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4327 -1.2518 1.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -0.7232 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 -0.7885 3.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 -0.1034 2.6435 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6128 1.0621 1.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 0.9006 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 2.0761 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 3.2357 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 4.2485 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 4.1143 -2.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 2.9252 -2.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6369 2.4518 -2.9959 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 1.1653 -2.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 0.0368 -3.3946 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 0.8493 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 1.9561 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -0.3745 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5644 -0.3985 -0.0298 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3572 -1.4409 0.9083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -2.6815 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -1.1080 2.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 -3.0618 2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 -4.1428 1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3044 -3.6498 2.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -0.8185 1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 -0.4071 3.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -0.3427 0.7063 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 2.7514 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 4.4312 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 3.8617 2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 3.2698 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9059 5.3950 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 4.3399 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 4.7061 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 2.1815 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 1.9098 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 0.9728 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6676 -0.7710 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 -0.4364 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1233 -3.0243 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1633 -2.7052 -4.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2063 -2.0849 -2.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 -3.6413 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 -2.3357 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 -0.1812 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9066 -1.2238 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 0.3007 3.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 2.0727 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 3.3698 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 5.2151 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 4.9091 -2.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 2.9591 -3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -1.2329 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7496 -0.5082 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -0.5861 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -2.5136 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 -3.1170 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 -3.4182 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -0.7477 2.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 -2.0438 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -2.8446 3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -4.5745 2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 -3.6694 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 -4.9666 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -3.0072 3.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 -4.7101 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 -3.5028 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 6 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 16 38 1 0 38 39 1 0 38 40 1 0 16 41 1 0 41 42 2 0 41 43 1 0 43 5 1 0 12 8 1 0 43 13 1 0 37 20 1 0 34 22 1 0 32 23 1 0 32 27 2 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 1 9 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 1 14 61 1 0 17 62 1 0 20 63 1 1 21 64 1 0 24 65 1 0 25 66 1 0 26 67 1 0 28 68 1 0 33 69 1 0 33 70 1 0 34 71 1 6 36 72 1 0 36 73 1 0 36 74 1 0 37 75 1 0 37 76 1 0 38 77 1 0 39 78 1 0 39 79 1 0 39 80 1 0 40 81 1 0 40 82 1 0 40 83 1 0 M END