/data/set2/dhfr00036.sdf
Unknown | 84 lines | 84 code | 0 blank | 0 comment | 0 complexity | f88cad759b774970f0429113f1b690dd MD5 | raw file
13-8 2 Cerius2 12180216023D 1 1.00000 3 Structure written by MMmdl. 4 32 33 0 0 0 0 0 0 0 0999 V2000 5 -3.0765 0.1894 0.7507 N 0 0 0 0 0 0 6 -3.1774 -1.0994 0.4291 C 0 0 0 0 0 0 7 -2.1740 -1.8358 -0.0470 N 0 0 0 0 0 0 8 -0.9726 -1.2330 -0.2210 C 0 0 0 0 0 0 9 -0.7619 0.1115 0.0882 C 0 0 0 0 0 0 10 -1.8777 0.7785 0.5952 C 0 0 0 0 0 0 11 0.5345 0.7781 -0.1056 C 0 0 0 0 0 0 12 1.5021 0.7798 0.9100 C 0 0 0 0 0 0 13 2.7304 1.4218 0.6963 C 0 0 0 0 0 0 14 3.0301 2.0603 -0.5054 C 0 0 0 0 0 0 15 2.0670 2.0606 -1.5155 C 0 0 0 0 0 0 16 0.8323 1.4283 -1.3163 C 0 0 0 0 0 0 17 -4.3834 -1.7062 0.5946 N 0 0 0 0 0 0 18 -1.8467 2.1262 0.9060 N 0 0 0 0 0 0 19 4.5410 2.8338 -0.8225 Cl 0 0 0 0 0 0 20 -0.2335 -3.5330 -1.0743 C 0 0 0 0 0 0 21 0.1500 -2.0878 -0.7766 C 0 0 0 0 0 0 22 3.6950 1.4011 1.7685 N 0 3 0 0 0 0 23 3.8667 2.4514 2.4122 O 0 0 0 0 0 0 24 4.2739 0.3241 1.9978 O 0 5 0 0 0 0 25 1.3016 0.2879 1.8605 H 0 0 0 0 0 0 26 2.2640 2.5488 -2.4680 H 0 0 0 0 0 0 27 0.0980 1.4466 -2.1221 H 0 0 0 0 0 0 28 -4.4873 -2.6814 0.3569 H 0 0 0 0 0 0 29 -5.1652 -1.1775 0.9515 H 0 0 0 0 0 0 30 -0.9946 2.5204 1.2893 H 0 0 0 0 0 0 31 -2.7100 2.5123 1.2745 H 0 0 0 0 0 0 32 0.6299 -4.0772 -1.4705 H 0 0 0 0 0 0 33 -1.0357 -3.5866 -1.8181 H 0 0 0 0 0 0 34 -0.5708 -4.0495 -0.1694 H 0 0 0 0 0 0 35 0.9768 -2.0965 -0.0567 H 0 0 0 0 0 0 36 0.5133 -1.6341 -1.7061 H 0 0 0 0 0 0 37 1 2 2 0 0 0 38 1 6 1 0 0 0 39 2 3 1 0 0 0 40 2 13 1 0 0 0 41 3 4 2 0 0 0 42 4 5 1 0 0 0 43 4 17 1 0 0 0 44 5 6 2 0 0 0 45 5 7 1 0 0 0 46 6 14 1 0 0 0 47 7 8 2 0 0 0 48 7 12 1 0 0 0 49 8 9 1 0 0 0 50 8 21 1 0 0 0 51 9 10 2 0 0 0 52 9 18 1 0 0 0 53 10 11 1 0 0 0 54 10 15 1 0 0 0 55 11 12 2 0 0 0 56 11 22 1 0 0 0 57 12 23 1 0 0 0 58 13 24 1 0 0 0 59 13 25 1 0 0 0 60 14 26 1 0 0 0 61 14 27 1 0 0 0 62 16 17 1 0 0 0 63 16 28 1 0 0 0 64 16 29 1 0 0 0 65 16 30 1 0 0 0 66 17 31 1 0 0 0 67 17 32 1 0 0 0 68 18 19 2 0 0 0 69 18 20 1 0 0 0 70M CHG 2 18 1 20 -1 71M END 72> <Name> 733-8 74> <Family> 75A 76> <PC_uM> 770.850000 78> <TG_uM> 790.013000 80> <RL_uM> 810.015000 82> <set> 830 84$$$$