IBS-ZINC04898589 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2130 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.5930 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1800 3.9400 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.1160 -1.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3120 3.7090 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 5.6450 -1.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5100 6.0350 -0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 5.2630 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 5.6390 1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 4.0940 0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 6.1840 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 5.8050 -3.6580 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 7.5800 -2.7020 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 5.6600 -3.1590 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 6.1810 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 3.7000 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 3.5570 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 3.4680 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 3.0820 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 2.8670 -5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 3.0320 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 3.4140 -5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 3.6390 -4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.8180 -7.7520 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.4910 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 6.8680 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 3.5700 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 7.1470 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 2.9530 -4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 2.5680 -6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 3.5410 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 3.9410 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -2.4280 -0.9060 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 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 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 30 42 1 0 0 0 0 M END