IBS-ZINC05387872 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 2.8600 0.6700 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -0.6290 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -1.4080 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -2.6350 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -3.0740 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.3000 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.0790 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.2870 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -4.3600 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -4.5780 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -5.1660 -0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -6.4120 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -7.3090 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -7.3120 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -8.4010 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -9.4940 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -9.5310 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -8.4350 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -8.2270 -1.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -8.8540 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -7.0230 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -6.4830 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -5.3290 -2.8110 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3090 -3.4240 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 0.6450 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 1.5050 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 0.8630 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -1.0550 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -2.6490 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.1740 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.7810 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 0.7010 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -4.8590 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -6.4770 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -8.3850 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -10.3300 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -10.3840 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -3.3450 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -4.4770 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.0550 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -7.2020 -3.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 23 -1 M END