IBS-ZINC02314799 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.3810 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0000 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.6810 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 0.0190 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4000 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0860 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4840 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 4.1440 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 3.5260 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 5.6070 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 6.3550 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 7.7400 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 8.7790 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 10.0760 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 10.4070 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 9.4200 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 8.0790 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 6.6180 -0.3090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 12.0700 -0.1830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 5.6590 1.6870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.4420 -0.0440 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.8390 0.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.8590 0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -2.9170 -1.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -2.6200 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.9440 -3.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -2.5800 -3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -1.9180 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.7680 -1.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9120 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.5490 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -0.5160 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.9450 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 3.9800 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 8.5380 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 10.8570 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 9.6820 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -3.4020 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -2.8010 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -1.5370 -3.2640 H 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 M END