IBS-ZINC04086684 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.1530 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -0.4170 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.7910 3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -2.5950 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0160 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.7740 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -3.1230 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -3.9990 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -4.9510 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -4.0770 3.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -2.7290 4.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8950 -2.6780 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -2.5030 4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -3.4940 4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -2.8900 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -3.4150 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -2.5370 5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -1.1940 5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -0.6480 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -1.5160 4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -1.3190 4.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.4680 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -4.9350 4.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9140 -5.1290 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -5.2350 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -5.8280 4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -6.7200 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 -7.4280 5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -7.1100 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 -5.8480 6.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.2290 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1940 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -3.7280 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.2150 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -3.6920 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -4.4610 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4520 -2.9060 5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -0.5500 5.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 0.4010 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -5.3920 5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -6.1240 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 -6.8790 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 -8.1800 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 -7.5580 7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 M END