COMGENEX-ZINC06869045 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -0.3790 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.5420 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.5520 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.9990 2.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.9380 1.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0310 -0.0980 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.6820 0.1400 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -2.2310 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -3.4210 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -4.6070 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -4.6040 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -3.4150 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.2280 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -3.4120 3.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0940 -4.4580 3.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -2.3640 3.7450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3980 -1.5490 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.4280 4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 0.1050 6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -0.5720 8.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -1.7940 7.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.7520 6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -3.4230 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -5.5360 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -5.5310 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -1.2980 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.3110 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.9960 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 0.3330 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 0.0180 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 0.9040 6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 0.4960 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.8930 8.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 0.1110 8.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.7140 8.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.7100 8.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -2.7610 6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -1.2460 6.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -0.9800 5.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END