HMDB0253479 RDKit 3D INDORAMIN 51 54 0 0 0 0 0 0 0 0999 V2000 4.8592 -1.7581 1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4345 -0.8639 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2835 -0.6569 0.5111 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 -0.4122 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.0444 1.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 0.4832 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.7131 0.4517 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 0.0036 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 0.4220 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 -0.2889 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -1.3525 1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9022 -1.7272 1.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -0.9481 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -0.8909 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2239 0.0529 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1923 0.9560 -2.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 0.9114 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 -0.0387 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 0.9919 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 0.5923 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5186 -0.3013 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2825 0.5614 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 1.0763 -1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 0.7457 -1.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 -0.1224 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8439 -0.6514 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 -1.7855 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -1.3929 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 0.8603 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.8031 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -0.3158 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 1.3563 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6581 -1.0738 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 0.1428 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 0.3286 2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 1.4991 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -1.7881 2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -2.5179 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0549 -1.5820 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 0.0789 -2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1567 1.7085 -2.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3025 1.5867 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 0.3919 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 2.0413 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.5334 -0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 0.1460 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 0.8538 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0924 1.7625 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 1.1568 -2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -0.3994 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 -1.3300 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 7 19 1 0 19 20 1 0 2 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 20 4 1 0 26 21 1 0 18 10 1 0 18 13 1 0 1 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 M END