IBS-ZINC04888546 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.5710 1.2710 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.7220 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 3.0940 -1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 0.9000 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.5610 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -1.1370 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -2.3440 -3.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -0.0650 -3.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 1.2210 -3.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9490 1.8650 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 1.9070 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 3.2100 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 3.8730 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 3.2500 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 1.9610 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 1.3030 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 0.0740 -1.0980 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -0.1840 -5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -1.4360 -5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -1.5560 -6.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -0.4250 -7.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 0.8290 -7.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 0.9470 -5.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -0.5490 -9.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -1.7210 -9.4450 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.2390 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.9950 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 0.4250 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 2.0750 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 3.7280 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 4.8790 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 3.7690 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 1.4660 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -2.3630 -5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -2.5470 -7.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 1.7290 -7.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 1.9540 -5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 3.3850 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 0.5330 -9.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 39 2 0 0 0 0 M CHG 1 25 -1 M END