/data/set2/dhfr00014.sdf
Unknown | 84 lines | 84 code | 0 blank | 0 comment | 0 complexity | 44b30cc2965fda663749924c61a395b5 MD5 | raw file
11-319947 2 Cerius2 12180216023D 1 1.00000 3 Structure written by MMmdl. 4 32 33 0 0 0 0 0 0 0 0999 V2000 5 -3.5373 -0.3767 1.1921 N 0 0 0 0 0 0 6 -3.5010 -1.6681 0.8705 C 0 0 0 0 0 0 7 -2.4098 -2.3217 0.4733 N 0 0 0 0 0 0 8 -1.2557 -1.6196 0.3890 C 0 0 0 0 0 0 9 -1.1799 -0.2635 0.7018 C 0 0 0 0 0 0 10 -2.3846 0.3054 1.1181 C 0 0 0 0 0 0 11 0.0597 0.5195 0.6047 C 0 0 0 0 0 0 12 1.0179 0.4793 1.6323 C 0 0 0 0 0 0 13 2.2073 1.2196 1.5556 C 0 0 0 0 0 0 14 2.4179 2.0417 0.4352 C 0 0 0 0 0 0 15 1.4732 2.0980 -0.5912 C 0 0 0 0 0 0 16 0.3031 1.3408 -0.5058 C 0 0 0 0 0 0 17 -4.6634 -2.3752 0.9494 N 0 0 0 0 0 0 18 -2.4910 1.6523 1.4280 N 0 0 0 0 0 0 19 3.8387 3.0138 0.2872 Cl 0 0 0 0 0 0 20 0.0292 -2.3698 -1.6326 C 0 0 0 0 0 0 21 -0.0741 -2.4125 -0.1155 C 0 0 0 0 0 0 22 3.1114 1.1404 2.6320 N 0 0 0 0 0 0 23 4.0831 0.3998 2.3803 N 0 3 0 0 0 0 24 4.9672 -0.2855 2.1583 N 0 5 0 0 0 0 25 0.8391 -0.1375 2.5125 H 0 0 0 0 0 0 26 1.6371 2.7348 -1.4574 H 0 0 0 0 0 0 27 -0.4295 1.4025 -1.3103 H 0 0 0 0 0 0 28 -4.6413 -3.3466 0.6956 H 0 0 0 0 0 0 29 -5.4941 -1.8880 1.2336 H 0 0 0 0 0 0 30 -1.7166 2.1048 1.8908 H 0 0 0 0 0 0 31 -3.4270 1.9236 1.7022 H 0 0 0 0 0 0 32 0.8763 -2.9751 -1.9706 H 0 0 0 0 0 0 33 0.1768 -1.3488 -1.9977 H 0 0 0 0 0 0 34 -0.8781 -2.7649 -2.1023 H 0 0 0 0 0 0 35 -0.1909 -3.4564 0.2023 H 0 0 0 0 0 0 36 0.8605 -2.0696 0.3392 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 19 20 2 0 0 0 70M CHG 2 19 1 20 -1 71M END 72> <Name> 731-319947 74> <Family> 75A 76> <PC_uM> 771.330000 78> <TG_uM> 790.690000 80> <RL_uM> 810.330000 82> <set> 832 84$$$$