IBS-ZINC06662139 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -1.0460 0.5700 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 1.4180 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 1.8630 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 3.0060 3.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 2.6380 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 2.1980 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 3.9220 4.6960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 5.0020 4.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 3.0050 5.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 4.5820 4.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 5.3050 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 5.3440 2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 5.9800 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 5.8570 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 6.6500 4.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 6.7510 5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 7.2920 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 6.8930 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 7.4210 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 8.3150 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 8.6900 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 8.1850 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.2890 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.3870 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.2680 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 2.2210 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 0.5310 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 1.0330 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.1590 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.8330 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 3.4980 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 1.8430 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 3.0130 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 4.8050 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 5.2720 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 7.1410 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 8.7190 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 9.3860 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 8.4800 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 1.0450 1.1750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4260 0.2580 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 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 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END