HMDB0248287 RDKit 3D Amethopterin 55 57 0 0 0 0 0 0 0 0999 V2000 2.6256 -1.6049 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 -0.2937 0.1976 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 0.7127 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 0.8813 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 1.9117 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 1.9580 -0.5615 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 1.0091 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 1.0629 -0.4895 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 0.1070 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3623 0.1699 -0.4465 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -0.9135 0.6438 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 -1.0197 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 -2.1388 1.7785 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 -0.0504 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -0.0814 0.9071 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.0940 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 -0.1811 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -0.0623 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 0.1378 -0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 0.2058 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 0.6372 -2.3313 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 -0.2250 -0.2501 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 -0.1988 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5166 0.7386 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9894 0.7507 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7057 1.7337 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0527 2.4330 1.7822 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0808 1.8529 0.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2772 -1.5882 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4931 -2.5257 0.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5775 -2.0144 -0.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0065 0.2260 -1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 0.1087 -1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 -1.8379 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 -2.3937 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 -1.6419 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 1.6971 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.4874 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 2.6673 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0247 -0.4105 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 0.7559 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 -3.1240 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 -2.0278 2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 -0.3332 1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -0.1227 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 -0.5829 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9418 0.0986 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0776 1.7518 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4099 0.3724 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 -0.2356 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 0.9190 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5835 2.4077 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -2.6557 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 0.3806 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 0.1831 -2.3109 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 0 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