IBS-ZINC05422480 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.5720 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.0890 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.4110 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.7190 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -2.2230 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.9970 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -4.5090 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -5.2550 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -5.6440 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -5.1780 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -5.6100 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -6.5250 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -6.9980 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -6.5500 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -7.1050 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -6.1610 1.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3530 -6.7660 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -5.5580 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -5.3200 2.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -5.0290 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -4.6550 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -7.0010 -5.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1450 -6.6330 -6.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -7.7530 -4.9460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9090 2.0500 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 2.0000 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.7520 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -0.4870 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -0.3850 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.4560 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.5450 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.7360 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -2.6900 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -4.8070 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -4.7950 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -4.4570 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -5.2210 -4.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -7.7110 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -7.3530 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -8.0440 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -4.6180 2.4480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 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 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 41 -1 M END