HMDB0001833 RDKit 3D Aminopterin 52 54 0 0 0 0 0 0 0 0999 V2000 10.6429 0.0018 -0.3754 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2544 0.1103 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 0.0626 1.0981 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4101 0.1672 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 0.1180 2.6239 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 0.3281 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 0.4316 0.4838 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 0.5856 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9067 0.7038 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.5947 -0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.7208 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 0.3940 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 0.2702 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -0.9551 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -1.0927 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -2.2710 0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 -0.0078 0.3701 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6853 -0.2231 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 0.3609 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9228 0.1476 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5553 0.7573 -1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8659 1.3085 -2.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9299 0.7289 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1492 0.2051 1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 0.7219 2.6284 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4220 0.0996 2.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.0630 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -1.9515 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 0.6365 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2101 0.5297 -2.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 0.3741 -1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.2659 -1.1538 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1672 0.7357 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1493 -0.8316 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 0.8526 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -0.6468 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7421 1.2163 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 1.4046 -1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -1.4406 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 1.3750 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 1.1647 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 0.9675 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8535 -1.3312 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 -0.1707 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2941 1.4632 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1647 -0.9099 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3412 0.7211 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4882 0.2499 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.8548 2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 -3.0361 -0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 -2.8278 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 0.7595 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 18 24 1 0 24 25 2 0 24 26 1 0 14 27 1 0 27 28 2 0 8 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 2 1 0 31 6 1 0 28 11 1 0 1 33 1 0 1 34 1 0 5 35 1 0 5 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 23 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 29 52 1 0 M END