IBS-ZINC05176079 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.4810 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 5.0090 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 5.4430 3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 6.7930 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 7.6780 2.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 8.9840 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 9.4140 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 8.4550 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 7.1660 4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 8.8370 6.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 7.8200 6.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 8.5030 7.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9480 9.1350 7.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 7.4400 8.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 7.7550 10.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 9.2330 10.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 9.2970 8.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 10.8580 4.4500 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2900 11.4500 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 11.4540 5.2240 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6790 9.9030 2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 3.0950 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1000 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 5.3950 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.3900 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 4.7850 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 9.7780 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 7.1960 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 7.2000 7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 7.5390 8.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 6.4390 8.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 7.6570 10.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 7.1150 10.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 9.9030 10.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 9.4740 10.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 9.5960 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 10.8530 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 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 49 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 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 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 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 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END