HMDB0061005 RDKit 3D repaglinide aromatic amine 56 57 0 0 0 0 0 0 0 0999 V2000 6.4973 -0.9405 2.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4148 -0.9162 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3689 0.3508 0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 0.4786 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -0.4183 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 -0.3568 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -1.4113 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.4503 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 -1.8736 -2.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 -1.1905 -0.3448 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 -0.8663 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 0.5768 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 1.7230 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6091 1.8877 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 2.9755 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4225 -1.1861 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5286 -0.8837 -1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6395 -1.3161 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6316 -2.0312 -1.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5885 -2.3796 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 -1.8899 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 -2.1737 1.6233 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9832 0.8007 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 1.7398 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 1.6736 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1345 2.6565 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 3.7035 -1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 2.6214 0.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -1.7176 3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -1.2271 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 0.0407 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 -1.0158 2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 -1.7281 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 -1.3847 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -2.3669 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -1.7226 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 -1.2243 -3.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -1.4375 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 0.6117 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 0.7221 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 1.8347 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 1.1776 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 2.9120 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 1.8742 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 3.8200 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8874 3.0974 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1689 2.7400 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7741 -0.3126 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -1.0505 -3.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4763 -2.3762 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3275 -2.9243 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5985 -2.8063 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -1.6904 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 0.9555 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 2.6339 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 2.6616 1.2003 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 1 0 8 10 2 3 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 6 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 25 4 1 0 21 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 5 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 28 56 1 0 M END