IBS-ZINC05245253 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 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 0.7420 -0.5150 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -0.2210 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.0910 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.3470 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 0.2840 0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.0160 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -0.2650 2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -0.0760 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 0.1820 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 0.1250 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -0.1890 5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -0.4460 5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -0.3850 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -0.2440 6.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 -0.5730 7.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 0.7460 -1.6980 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 0.9580 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 1.3150 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 1.4150 -3.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 1.5220 -2.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1670 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4690 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5370 0.0040 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 0.3500 -0.0170 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.5900 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.4250 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 0.3250 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -0.6900 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.5810 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -0.5840 8.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 0.1710 8.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 -1.5570 7.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 1.7570 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 0.0290 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 1.4410 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 1.7510 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.2120 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.3310 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.1770 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.6270 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.1870 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 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 23 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 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 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END