IBS-ZINC04137408 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.2510 0.9770 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 0.6690 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 2.9550 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 3.5290 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 4.9760 2.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 5.9130 1.6390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6680 5.7300 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 7.2070 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 7.0620 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 5.6110 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 5.1210 4.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 8.0140 3.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 8.5020 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 9.2470 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 8.8460 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 8.3460 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 8.6960 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7350 9.5440 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 10.0570 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 9.7080 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 10.8960 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 11.2930 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 5.7800 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 5.4150 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 5.2690 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 5.4820 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 5.8460 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 6.0010 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 6.0870 -2.5850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.0940 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.1770 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.5140 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 0.9080 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.3940 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 0.9330 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 3.4010 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 3.1440 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 3.2700 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 3.1190 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 7.5420 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 7.7060 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 8.3130 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 9.7900 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 10.1100 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 11.8520 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 11.9600 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 10.4300 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 5.2450 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 4.9920 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 5.3650 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 6.2950 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 1.4550 1.3290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6900 1.2570 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END