IBS-ZINC02227207 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0430 1.2440 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.0990 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.7690 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -0.1060 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 1.2370 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 1.9180 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 1.9240 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.1020 -0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 1.1540 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -0.1710 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -0.8140 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 1.7640 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 2.2270 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 2.6590 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 3.1910 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 4.2930 3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 3.8640 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 3.3720 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 5.6480 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 5.7870 1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 6.6940 3.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 8.0510 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 8.9310 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 10.2730 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 10.2890 1.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.7650 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.6260 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.8150 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.9660 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 -0.6800 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 1.0110 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 2.6060 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 1.3780 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 1.8070 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 3.4240 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 2.3540 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 3.5480 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 4.4450 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 3.0530 3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 4.6790 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 4.2080 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 3.0380 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 6.5230 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 8.4270 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 8.0020 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 8.5030 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 9.0420 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 11.1990 3.3400 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 M CHG 1 48 -1 M END