HMDB0249377 RDKit 3D Brequinar 43 46 0 0 0 0 0 0 0 0999 V2000 -1.4007 -1.6234 -1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.6175 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 0.1404 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.0562 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -1.2457 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 -1.3261 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -0.1569 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -0.1542 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 -0.9335 1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 -0.9451 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -0.1829 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 0.6053 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1299 0.6075 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 1.3775 -1.6713 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.0752 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 1.1082 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 1.0671 0.9157 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 1.2876 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 2.2573 1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0864 2.4730 1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 1.7080 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2134 1.9240 0.9486 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 0.7487 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 0.5154 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -0.4544 -0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2618 -1.2475 -1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -0.9276 -2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 -2.4539 -1.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 -1.6653 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 -2.6670 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -1.4049 -1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -2.1448 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -2.2770 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 -1.5348 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 -1.5561 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -0.1877 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 1.2059 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 2.0104 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 2.0845 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 2.8366 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 3.2393 2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9204 0.1319 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7788 -2.6413 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 7 15 1 0 15 16 2 0 3 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 25 2 1 0 16 4 1 0 24 18 1 0 13 8 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 6 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 15 38 1 0 16 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 28 43 1 0 M END