IBS-ZINC04646229 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 1.9940 1.1560 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.2840 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.6970 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -1.9610 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.7810 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.0840 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.5450 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -3.7190 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.4300 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -1.6230 3.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.9600 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -6.3180 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -6.9270 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -6.3320 1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -6.8020 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -8.2090 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -8.9400 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -8.5330 -1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -7.2640 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -6.8990 -2.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -10.4950 0.8990 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -10.0420 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -8.8280 2.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -10.8770 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -12.1770 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -12.9170 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -12.3540 5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -11.1260 5.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -10.3840 4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 1.2110 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.4700 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 1.8110 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.3400 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.9400 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.4200 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -5.5480 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.0760 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -1.0910 4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -4.5400 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -12.5920 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -13.9230 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -12.9290 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -9.3850 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 M END