IBS-ZINC04729625 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.4250 1.4410 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0150 0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7510 -0.0760 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.5310 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.1600 -2.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -0.2940 -1.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -0.7040 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 0.5020 -3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 1.0440 -2.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 1.5450 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 0.3880 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 2.0350 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 2.6740 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 3.6580 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 3.9720 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 3.2980 -4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -0.8270 0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -1.5310 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.5950 2.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -2.2150 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -3.0560 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -3.5380 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -3.1850 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -2.3440 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -1.8550 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.9610 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -0.4370 -1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 2.0600 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 1.5150 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.7860 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -1.5120 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -1.0390 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 0.1890 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 1.2690 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 1.9890 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 2.2980 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 0.7740 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -0.3140 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 2.4040 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 4.1710 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 4.7360 -4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.5390 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -3.3360 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -4.1940 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -3.5670 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.0720 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3590 -4.3650 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 47 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END