IBS-ZINC06659781 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -1.2550 1.1880 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -0.1550 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.7060 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.9450 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -2.6250 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.8430 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.1600 -2.5120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0150 2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -0.6950 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.9070 3.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 0.0520 4.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0660 0.6680 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.9460 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.2740 7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -0.6390 8.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.7270 7.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.2050 6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.9030 5.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 1.5410 4.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 2.1850 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 1.9690 6.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 3.0060 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 3.6400 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 4.4020 4.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 4.5370 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 3.9100 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 3.1410 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.9740 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 1.2300 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 1.3320 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.3750 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -3.5880 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.6090 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.9540 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -1.3850 6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -1.7360 5.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 1.0990 8.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 3.5350 6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 4.8940 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 5.1350 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 4.0190 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 2.6480 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END