IBS-ZINC04772813 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.1610 1.6510 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.1220 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 0.1030 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.6320 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 3.5510 1.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3610 4.1060 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 4.0730 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 5.6350 2.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 6.6490 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 5.7320 3.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 5.3260 3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 3.8960 2.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2970 3.7840 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 2.9910 3.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.1330 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.9860 -0.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9270 -2.2930 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.4840 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -4.1750 -1.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -5.0180 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -4.3490 -2.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -4.1090 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -2.6280 -0.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6430 -2.1710 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -2.4700 1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -2.9520 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.9590 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.1020 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.1680 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.3410 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.3700 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -0.1550 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 2.0850 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.9310 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 3.4270 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 4.2300 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 5.4790 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 6.0350 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -1.9430 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -2.4550 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -4.5800 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -4.6550 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.4480 -0.1080 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.1080 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 2.0880 1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 45 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 43 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 45 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END