IBS-ZINC06660950 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0570 1.5950 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.0730 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3890 -0.1890 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.4800 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.1040 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -0.2800 -0.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.3760 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 1.5550 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 1.0590 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 0.4750 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -0.7210 -0.6810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9140 -1.5200 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.2280 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -1.6560 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 -2.0340 2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -0.4960 1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -1.2030 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -1.4070 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -1.7120 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.4630 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -2.8840 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -3.6400 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -3.9040 4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -3.3870 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -2.5180 4.6260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -1.1480 3.2940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.3030 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 0.5790 3.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.9850 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.0260 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.8590 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 0.7390 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.3350 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 2.3080 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 1.9920 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 1.8920 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 0.2890 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 1.2380 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 0.1430 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -2.0800 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -0.4310 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -0.8260 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -2.5030 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -2.3180 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -2.7360 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -3.9920 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 -4.4870 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 -3.5020 6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END