IFLAB-ZINC04248811 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.3900 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.0080 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.6740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.0300 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.4120 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0920 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5980 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.0870 1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 4.4410 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 4.8310 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 4.7240 3.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 4.2730 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 3.9630 1.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 4.4330 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 4.2450 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 3.8330 2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 4.5330 4.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 4.2680 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 4.4170 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 4.1540 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 3.7390 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5440 3.5910 4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 3.8610 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 3.1930 6.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5160 2.5750 5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2760 3.4240 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 3.4760 3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.4100 0.0100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.9210 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.5410 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -0.5020 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 1.9600 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 3.9700 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 3.9530 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 4.4110 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 5.1720 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 5.4780 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 3.8060 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 4.9250 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5220 4.7390 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9260 4.2710 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 3.7490 6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0830 2.5280 6.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 1.5690 5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4200 4.4320 5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2450 2.9690 4.5700 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 28 1 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 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 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 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END