IFLAB-ZINC04166905 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 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 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4850 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.6280 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -4.3870 2.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -4.7540 3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -4.8610 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -4.8190 2.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -4.4430 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 -5.2580 2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -4.8710 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -5.7740 4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -4.9310 5.9840 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -3.4030 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -3.6270 4.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -2.0800 5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 -1.9580 6.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 -0.6980 6.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9220 0.3920 6.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 0.2470 5.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 -0.9330 4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -2.4850 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -1.6420 5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2180 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1050 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.5940 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -5.3200 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -3.3810 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -4.6450 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -6.3200 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -5.0550 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -6.8370 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -2.8260 7.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 -0.5650 7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2930 1.3770 6.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 -1.0120 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -2.2580 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -1.0000 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -1.0260 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 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 2 0 0 0 0 21 22 2 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 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END