IBS-ZINC04088980 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 2.6260 1.0170 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.4530 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.7920 1.7230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1790 -0.0450 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.6480 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -2.1930 1.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -2.3010 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -2.2830 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -3.0830 2.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -3.3060 1.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -3.8170 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -3.4690 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.8870 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -4.9650 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -5.9700 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -6.8860 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -6.8280 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -5.8100 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -7.8990 2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -8.5760 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -7.9570 5.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -8.2420 5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 1.2990 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 1.2120 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 1.6640 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.6990 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -1.0560 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.2880 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.3850 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -0.9080 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -3.7010 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -4.2330 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -6.0250 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -5.7440 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -8.1460 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -9.4410 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.5650 0.4200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 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 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 37 -1 M END