IBS-ZINC04764804 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0910 2.2940 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.8090 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -1.4220 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -2.1460 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -0.4110 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.3560 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -2.5590 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -4.0940 3.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4930 -4.5290 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -4.7000 4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -6.1290 4.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -6.5620 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -7.9010 3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -8.3990 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -7.5610 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -6.2230 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -5.7280 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -4.4110 2.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 2.7760 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 2.7880 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.4740 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 0.3890 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.6110 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.7600 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.5810 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.8580 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -3.2180 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -0.2110 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.0130 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4310 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 0.0560 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -2.2960 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -2.1890 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -4.3580 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -4.4260 5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -8.5520 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 -9.4410 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -7.9510 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -5.5730 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 0.0780 1.4700 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3890 0.3920 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -1.8640 2.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 40 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 42 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 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 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END