IBS-ZINC06660828 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0440 1.2100 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.1740 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.8350 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.1030 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.2960 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.9410 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -0.8000 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -0.0880 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -0.7560 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 -0.0380 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 -0.5480 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 -1.7380 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5580 0.3820 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 1.6740 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 2.6290 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 1.7260 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 0.0010 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 -0.1370 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 0.0640 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 -0.4820 -1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6850 -0.6480 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9110 0.2250 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 -0.1200 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4000 0.1720 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1680 -0.7070 -3.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4290 -1.7570 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0660 -0.3330 -4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 0.8170 -4.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 1.7220 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.7370 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -1.9140 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 1.8680 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 3.0210 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -1.8790 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.9920 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -1.8350 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 0.7680 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0970 -0.9500 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 -0.3380 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9880 -1.6930 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6230 1.2760 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 0.0390 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3490 0.4820 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7270 -1.1770 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1170 1.2230 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8020 -0.0520 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 -1.2780 -4.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 -0.9900 -5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 47 48 1 0 0 0 0 M END