HMDB0014703 RDKit 3D Methotrexate 55 57 0 0 0 0 0 0 0 0999 V2000 2.2540 1.1295 -2.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 -0.1096 -1.5217 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 -0.8912 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -0.0670 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7002 1.0001 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 1.7290 1.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 1.4193 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 2.1409 1.8149 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 1.7727 1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9768 2.5121 2.5274 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4856 0.7328 1.0365 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6406 -0.0052 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -1.1057 -0.4889 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3049 0.3515 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4437 -0.3736 -0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4670 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 0.3517 -1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 0.0500 -1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 -1.0717 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3045 -1.4348 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 -2.4672 0.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3891 -0.6229 -0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 -1.0352 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2261 0.1195 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 -0.0914 1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9418 1.1050 2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 1.2772 3.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7727 2.0556 1.8073 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5432 -1.2971 -1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0475 -1.1495 -2.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8696 -1.7122 -1.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -1.9005 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 -1.5903 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7485 1.0361 -3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 1.9433 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 1.3881 -2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 -1.0164 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -1.8352 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.2375 0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2350 2.1975 3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3959 3.3678 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0276 -1.4795 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3997 -1.5590 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 1.2537 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 0.7354 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 0.2227 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6902 -1.9416 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1373 1.0476 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5223 0.1917 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5941 -0.9489 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3672 -0.3376 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4286 1.9057 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0566 -2.7083 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0932 -2.7946 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 -2.2606 -0.0874 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 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 2 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 23 29 1 0 29 30 2 0 29 31 1 0 19 32 1 0 32 33 2 0 15 4 1 0 33 16 1 0 14 7 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 5 39 1 0 10 40 1 0 10 41 1 0 13 42 1 0 13 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 1 24 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 28 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 M END