NIH-ZINC06577246 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.4720 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0340 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.6720 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.1720 1.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0240 -2.4580 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.7590 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.0590 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.8720 -2.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -4.0980 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.0660 -0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -5.2930 -2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -6.5130 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -7.6230 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -7.5290 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -6.3170 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -5.1990 -3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -6.2290 -6.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -7.4220 -6.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.7070 -1.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.6730 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -3.3590 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -3.7140 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -3.3150 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -2.4350 1.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.1010 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 0.3660 2.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5430 2.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.3800 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 1.2200 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 2.0730 6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 3.0470 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 3.1730 5.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 2.3860 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.8710 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.8120 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.8210 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -6.5900 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -8.5680 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -8.4000 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -4.2570 -4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -7.7740 -6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -8.1880 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -7.2130 -7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -0.2550 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -3.6190 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -4.2710 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -3.5010 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.2810 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 0.4490 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.9770 6.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 3.7150 7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 2.5230 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 52 1 0 0 0 0 M END