IBS-ZINC02449854 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.5450 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2090 0.2890 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.2470 2.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -1.9700 1.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8370 -2.8770 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -0.6770 0.1970 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -2.2410 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -2.6710 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -2.8460 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -2.5890 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -2.1500 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -1.9660 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -1.4710 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.3080 4.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -1.4980 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -2.6940 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -1.0190 0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -1.9450 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.1500 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -0.4410 0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 0.3380 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.5260 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -2.8720 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -3.1830 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -2.7320 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -1.9510 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -0.0620 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -2.5910 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -2.5550 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -1.8340 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.4410 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 0.8450 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -0.3150 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 1.0780 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.1690 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -1.6160 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.1650 -2.1440 H 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 8 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END