IBS-ZINC02382944 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.5840 1.8210 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 0.3180 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.3380 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.7150 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -2.4540 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -1.7990 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.4070 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.2960 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.0740 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 0.9470 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.6760 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 1.2590 -2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 2.6780 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 3.3940 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 4.5130 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 5.1520 -3.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 2.9720 -2.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 2.4550 -2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 2.1260 -1.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 1.7130 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 1.7900 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 1.8980 -2.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 2.3340 -3.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 1.3570 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -3.9270 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -4.5680 -0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.1130 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1920 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 2.2460 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 0.2280 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.2220 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.3650 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -0.6410 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.0340 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 2.8760 -5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 2.2170 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0790 0.6000 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 0.9420 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 4.8360 -5.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -4.5590 1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -5.5230 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 5.5880 -6.0040 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 M END