IBS-ZINC02445307 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3810 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0080 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 2.1240 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.3070 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 1.4140 -0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.0090 -0.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4730 -0.0490 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -0.6270 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -0.7020 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -1.7580 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 -2.1060 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -1.2350 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 -0.3850 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -1.2180 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0110 -2.1570 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -2.1360 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1270 -1.1880 3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -0.2560 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0470 -0.2610 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 0.7540 4.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 11.1210 0.7640 5.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 1.5760 4.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 1.8380 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -2.2450 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -2.9100 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 -2.8980 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8690 -2.8610 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -1.1770 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 0.4700 2.6130 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END