IBS-ZINC06659865 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.4200 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 0.0260 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.5100 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 0.6790 -1.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 1.9030 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -1.8610 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.2410 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -3.6620 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -4.6550 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -3.6080 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -4.6200 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 -4.2480 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 -2.8890 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -1.8820 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -2.2640 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -1.4190 -0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 -2.4210 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 -3.3870 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1170 -2.7090 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2220 -1.4800 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2280 -3.5530 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5710 -2.9730 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4030 -3.4970 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4380 -5.0290 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0090 -5.5880 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1950 -5.0190 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1880 -5.6330 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6040 -4.8170 -3.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.0330 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.5550 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.9140 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -2.6280 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 -5.6620 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 -5.0430 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 -0.8350 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -4.0260 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6920 -3.9730 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5330 -1.8800 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 -3.2470 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9740 -3.1220 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4220 -3.0970 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9590 -5.3710 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 -5.3420 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0190 -6.6820 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6150 -5.3520 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -5.4040 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3140 -6.8920 -2.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 47 -1 M END