IBS-ZINC00235512 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.1370 1.3740 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -0.0760 0.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6770 -0.6520 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.5870 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.0820 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -2.4530 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.8950 -1.4670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1230 -2.2630 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.4100 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.5550 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7680 -1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.0800 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 1.2240 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 0.6340 -5.1730 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 0.0690 -5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -2.4610 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -3.1860 -3.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 2.0300 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.7610 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.4400 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -0.0200 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.4240 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -2.3690 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.6650 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -2.0460 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -3.5430 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.7120 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.2960 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 2.0080 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 1.6780 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -2.1350 -3.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 M CHG 1 31 -1 M END