IBS-ZINC00112211 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.2490 1.1960 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.1790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -0.7770 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.0190 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 1.3700 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 1.9720 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.6520 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.9870 0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -2.5600 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -3.9400 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -4.6160 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 -3.9010 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -2.5170 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -1.8280 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 -0.4380 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 0.1390 0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 0.3920 0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 1.7340 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 2.4070 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 3.7500 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 4.4430 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 3.8020 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 2.4480 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 4.5500 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6040 3.8770 0.9500 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2150 1.6620 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.7900 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -1.8550 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 2.0040 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 3.0460 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -4.5090 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -5.6950 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 -4.4140 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 -1.9790 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8480 -0.0180 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 1.8910 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 4.2560 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 5.4920 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 1.9570 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7040 5.7980 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 2 0 0 0 0 M CHG 1 25 -1 M END