IBS-ZINC05190667 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.1860 1.5910 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.2250 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.4500 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 0.2270 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 1.6210 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 2.2830 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 2.4070 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 1.7610 0.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5270 -0.4360 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -1.7790 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -2.4200 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -1.7020 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -0.5330 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -2.4660 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -3.8050 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -4.4210 0.7000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 -4.5000 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -3.8920 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -4.5200 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -5.9480 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -6.2520 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.7500 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -6.0420 4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -6.8420 5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -7.3610 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -7.0710 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -7.1200 6.3340 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 2.1200 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.3180 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5130 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 3.3530 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 0.2520 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -2.3690 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -1.9630 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -6.4020 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 -6.4400 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -5.1310 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -5.6500 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 -7.9850 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 -7.4850 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 3.6360 0.8930 O 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 41 2 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 1 8 -1 M END