HMDB0015288 RDKit 3D Trimetrexate 50 52 0 0 0 0 0 0 0 0999 V2000 -4.9490 -2.4766 -2.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -1.3131 -1.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -0.5964 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9778 -0.9894 -0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 -0.2727 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -0.7354 -0.4166 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -0.0062 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -0.5884 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -1.7136 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 -2.2338 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -1.6224 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5801 -2.1314 -0.4113 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -1.5359 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 -2.0824 -0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 -0.4324 0.8628 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 0.1196 1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 1.3003 1.8234 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 -0.4607 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 0.0784 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 1.3045 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 0.8621 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 1.2906 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 2.4273 1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 3.1650 1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6324 0.5630 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9363 0.9788 -0.0958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5362 1.8626 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2128 -2.2249 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 -3.1800 -1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8233 -3.0115 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 -1.8873 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 -1.5911 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3543 1.0344 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 0.0364 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -2.2794 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 -3.1338 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3107 -2.3725 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5525 -2.1715 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 1.2559 2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 2.2125 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 1.5712 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 2.2032 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 1.1268 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 1.4435 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 3.5427 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 3.9713 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 2.4602 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5464 2.1382 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 1.3412 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 2.7534 -1.1906 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 5 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 25 26 1 0 26 27 1 0 25 3 1 0 19 8 1 0 18 11 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 9 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 17 39 1 0 17 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 24 45 1 0 24 46 1 0 24 47 1 0 27 48 1 0 27 49 1 0 27 50 1 0 M END