HMDB0014450 RDKit 3D Mitomycin 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0895 -2.6197 2.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -2.4880 1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -1.7467 0.5568 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7411 -0.3424 1.0328 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8816 0.3382 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 1.6789 0.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9488 2.5213 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 3.8589 0.7129 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7137 2.0813 -0.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5076 0.2879 0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 -0.4223 -0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -0.0055 -1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.6904 -2.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 1.1756 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 1.6377 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 1.8668 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 3.0226 0.6707 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 1.4739 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 2.1318 1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 -1.5303 -0.7224 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -2.5113 -1.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -3.0373 -1.0844 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6896 -2.0795 -0.8529 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 -2.4548 0.2614 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0804 -3.1140 2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 -3.3535 3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.7081 3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 -0.2346 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -0.1227 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 0.4271 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 4.5668 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9256 4.1036 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 2.1094 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 2.3162 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 0.7866 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 3.0433 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 3.9033 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -3.2979 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -2.0156 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 -4.0805 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 -2.4017 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 -3.0746 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 3 1 0 24 22 1 0 24 3 1 0 18 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 1 5 29 1 0 5 30 1 0 8 31 1 0 8 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 21 38 1 0 21 39 1 0 22 40 1 1 23 41 1 0 24 42 1 1 M END