IBS-ZINC02442087 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2100 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0190 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.3980 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5660 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 4.3680 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 5.6380 0.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8000 5.6680 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 4.4020 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 4.3750 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 5.7860 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 6.6440 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 6.8150 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 7.2980 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 6.7170 -2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 8.4750 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 8.9260 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 10.0300 -2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 10.6920 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 10.2500 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 9.1450 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 11.7740 -1.9040 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.0340 -0.0190 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.5150 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 1.9440 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 4.0390 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 3.6270 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 4.1640 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 5.8260 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 6.0990 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 7.0610 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 7.4390 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 6.5510 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 7.6060 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 8.4120 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 10.3790 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 10.7710 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 8.7990 0.7150 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 9 1 M END