IBS-ZINC05453529 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.1980 1.5170 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.0100 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.5770 -1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.6850 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -2.0820 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.8050 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.1830 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -4.8480 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -4.1270 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.7440 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -4.7980 -0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -4.2310 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -3.1070 -1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -4.9950 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 -3.9730 -2.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 -5.0790 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5600 -6.2840 -1.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 -3.9860 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 -6.8610 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5270 -5.9270 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7280 -4.8080 -2.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8180 -6.2550 -3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3100 -7.5050 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5060 -8.3790 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2830 -8.0480 -1.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9180 -7.9700 -3.1630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -6.2040 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -6.8790 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 1.8990 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 1.8740 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.8670 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -0.2180 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.2890 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -4.7420 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -2.1830 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -5.6700 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -5.9100 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -5.2470 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4240 -5.5550 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8900 -9.3510 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -6.5360 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -6.6620 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -7.9540 -0.4460 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 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 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 27 28 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M END