HMDB0251480 RDKit 3D Disoxaril 51 53 0 0 0 0 0 0 0 0999 V2000 6.2909 4.1285 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7073 2.7830 -0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 2.4351 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 1.0870 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 0.2937 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 -1.1482 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 -1.8726 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 -3.2977 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -4.2199 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0562 -4.1100 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -2.9009 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -2.5626 0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -1.4462 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 -0.6105 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 0.5053 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 0.7930 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 1.9648 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0384 2.8064 0.9972 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 3.8471 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5893 3.2122 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5217 2.3499 -1.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -0.0435 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 -1.1466 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 0.6606 -0.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 1.6187 -0.4985 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4865 4.7552 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 4.5779 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 4.1104 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 3.1024 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 0.3554 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 0.7804 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -1.6072 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -1.2271 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -1.7790 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -1.4011 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 -3.6785 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 -3.2792 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -5.2847 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 -4.1948 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -4.2348 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 -5.0467 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 -2.0250 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 -3.2041 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 -0.8041 2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 1.1362 2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7446 4.0146 1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4179 4.7885 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 3.9373 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4655 2.6414 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 0.1956 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -1.7553 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 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 18 19 1 0 19 20 1 0 20 21 1 0 16 22 1 0 22 23 2 0 4 24 1 0 24 25 1 0 25 2 2 0 23 13 1 0 21 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 14 44 1 0 15 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 22 50 1 0 23 51 1 0 M END