HMDB0061104 RDKit 3D 7-hydroxymethotrexate 56 58 0 0 0 0 0 0 0 0999 V2000 1.9508 -3.0830 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -1.8392 0.4815 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4072 -0.8079 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5939 -0.2229 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -0.7506 0.2995 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 -0.0264 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1766 -0.5866 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 -1.9568 0.0268 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 0.2345 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9785 1.5411 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 2.2427 -1.2328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 2.0989 -0.6795 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7118 1.3872 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4847 1.9065 -0.1947 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 1.1889 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 1.6536 0.1982 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 -1.4717 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -1.5178 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 -1.0183 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 -0.5196 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 0.0433 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6157 -0.5179 1.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 1.1067 -0.2583 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4088 1.7704 -0.4391 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5668 0.8429 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5881 -0.3841 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 -1.3328 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2658 -2.2667 0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9376 -1.1887 -0.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 2.9980 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 3.2089 1.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 4.1619 -0.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.5004 1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 -0.9905 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -3.8448 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -3.0874 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 -3.5126 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -1.2712 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 0.0096 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -2.6748 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3473 -2.2438 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 -0.1776 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8255 3.2922 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 3.1327 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 -1.8784 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 -1.0627 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 1.5240 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 1.9275 -1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5273 1.3885 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5586 0.6038 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9482 -0.0069 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 -0.8144 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4495 -0.3973 -0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2754 4.7160 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 -0.0968 2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 -0.9291 2.6161 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 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 2 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 24 30 1 0 30 31 2 0 30 32 1 0 20 33 1 0 33 34 2 0 15 4 1 0 34 17 1 0 13 6 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 18 45 1 0 19 46 1 0 23 47 1 0 24 48 1 6 25 49 1 0 25 50 1 0 26 51 1 0 26 52 1 0 29 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END