IBS-ZINC05163300 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.4280 1.3960 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 2.7260 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 2.7230 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.4140 3.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 1.1920 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 1.1980 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 3.1040 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 4.4780 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 5.0220 6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 4.2350 7.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 2.9140 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 2.3400 5.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 2.0650 7.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 2.5480 9.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 1.4010 9.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 0.8250 10.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -0.2420 11.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 -0.7490 11.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 -0.1910 9.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 0.8770 9.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 6.3710 6.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 5.3640 4.0650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5080 5.2330 2.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 6.2010 4.3380 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5730 1.5150 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 2.2080 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 0.4230 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 3.5450 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 2.7930 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.9490 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 3.6690 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 0.3200 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.0850 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 0.2350 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 2.0030 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.0800 7.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 3.0220 9.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 3.3060 8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 1.2040 11.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -0.6800 12.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -1.5790 11.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -0.5870 9.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 1.3000 8.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 7.0720 5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 6.6490 7.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 1.4300 1.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3130 0.6540 1.5040 H 0 0 0 0 0 0 0 0 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 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 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 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 46 1 M END