IBS-ZINC04084738 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.7760 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.5290 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 3.0410 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 3.2860 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 3.4090 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 3.6750 4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 3.8270 4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 3.7050 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 3.4350 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 3.2820 0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.3780 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 3.2030 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 3.6910 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 3.8500 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 3.8350 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 4.9530 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8810 5.1460 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8170 4.2100 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 3.0890 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 2.8900 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 1.8170 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5140 0.8740 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1480 6.2760 -0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5040 6.5040 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 3.2560 4.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 0.9030 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.7200 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 2.6890 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 0.4540 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -0.3060 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.5490 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 3.8980 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 2.9440 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 3.7700 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 4.0360 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 4.0800 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 5.6890 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8760 4.3180 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 2.3870 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0410 0.3750 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9610 0.1100 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2160 1.3460 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8820 5.6970 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1330 6.6380 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5420 7.4310 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 3.3980 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.8020 0.5940 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8350 1.8780 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 47 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 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 15 1 0 0 0 0 14 36 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END