NIH-ZINC04142721 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.1180 -0.1130 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.7210 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -2.3230 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -3.0480 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.1090 0.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -1.0620 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.3500 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -2.3060 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -2.4370 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -2.2300 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -2.3870 4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 -2.7420 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -2.9180 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 -2.7540 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 -2.8890 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 -2.6720 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1090 -3.2140 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 -2.4310 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4020 -4.4110 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6820 -4.9690 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8820 -4.3660 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1010 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1190 -6.2310 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9400 -6.8480 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7340 -6.2100 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5880 -6.8000 -1.1500 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.2910 -6.8280 -0.8990 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.2450 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.8480 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 0.7430 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -1.5120 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 0.0220 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.7250 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -3.0450 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -3.7350 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -3.6740 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -1.5100 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -0.3040 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.3100 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.2300 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -1.9150 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -2.2230 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -2.8650 5.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -3.1710 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -2.7210 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6310 -4.9770 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9040 -3.4060 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0370 -4.5350 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9590 -7.8070 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -1.3630 0.0930 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7150 -1.9230 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -2.3860 -0.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 52 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 45 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END