HMDB0015048 RDKit 3D Repaglinide 69 71 0 0 0 0 0 0 0 0999 V2000 7.0777 -0.1954 1.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 -0.5007 1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 -0.0766 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -0.2699 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -0.8983 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 -1.1619 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 -1.8201 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -0.9373 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -0.8286 -1.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -0.2869 0.8614 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 0.5744 0.9446 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5429 1.5316 2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 2.5041 2.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 1.9664 2.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 3.8810 1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 0.9741 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 2.0599 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 2.3337 -2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 1.4898 -3.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 0.3926 -2.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 0.1199 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 -1.0319 -0.5477 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1035 -2.3176 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1493 -3.4129 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 -3.1062 0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 -1.6474 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 -0.8138 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 -0.7648 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -0.1244 -2.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 0.1116 -2.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 0.7780 -2.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 1.1322 -3.9448 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 1.0304 -2.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3324 -0.9447 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1031 0.7953 2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8826 -0.2831 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -0.1114 1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6264 -1.6112 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 -1.2213 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -2.1028 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -2.7584 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -0.4274 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.1731 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 0.9126 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 2.1194 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 2.7769 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5931 2.8556 2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 1.5466 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 1.2584 3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 4.0295 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 4.6874 2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 4.0905 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 2.7438 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 3.2327 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 1.7149 -4.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1015 -0.2717 -2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4947 -2.6588 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -2.3599 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -3.7339 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 -4.2976 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1976 -3.4833 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 -3.6568 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6632 -1.3868 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4337 -1.4607 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 0.2309 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 -1.0515 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -0.9471 -2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.1794 -3.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 1.0824 -2.4915 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 11 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 6 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 30 4 1 0 21 16 1 0 27 22 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 5 39 1 0 7 40 1 0 7 41 1 0 10 42 1 0 11 43 1 1 12 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 15 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 29 68 1 0 33 69 1 0 M END