IFLAB-ZINC02457070 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5280 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.4910 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.0410 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.5720 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 3.4580 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 3.8820 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 5.6840 2.9000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 6.0800 2.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 6.3330 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -1.4000 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.8280 -1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -1.8850 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -2.9050 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.3980 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.4020 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -4.6940 -3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9060 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8900 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.3600 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.3660 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.2840 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.3170 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 1.9320 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 1.9810 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 3.9390 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 3.7570 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 3.5830 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 3.4010 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -2.3540 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -1.0410 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -2.4360 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -3.7500 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.8670 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -2.5530 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.9990 1.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 5.9770 4.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -4.9730 -2.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -5.6110 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 6.9150 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 37 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 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END