IBS-ZINC04739746 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.0140 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1360 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -2.5700 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -2.7620 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -2.5910 -2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -3.1950 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -3.4660 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8930 -3.8760 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8990 -4.1810 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -4.5360 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6620 -4.4360 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3760 -4.0420 -0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5360 -4.7170 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8080 -4.1440 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6220 -4.4110 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1890 -5.2460 2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -5.8210 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0980 -5.5710 1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -6.1880 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 -5.9630 0.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -3.2850 0.7760 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -2.7810 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -2.6510 2.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -2.5140 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.5230 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -3.3690 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -4.1510 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9850 -4.8330 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1530 -3.4930 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6050 -3.9660 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8360 -5.4460 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6070 -6.4700 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 -7.0030 2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4630 -7.3850 2.5710 H 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 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 39 40 1 0 0 0 0 M END