CHEMBRIDGE-ZINC01096065 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 1.8550 4.7930 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 5.1820 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 4.5210 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 3.4580 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 3.0720 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 3.7410 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 2.7470 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 3.0860 2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 1.7210 0.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 1.0720 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 1.5500 1.8770 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 0.0460 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -0.5520 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -1.9350 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 -2.5320 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 -1.7580 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8460 -0.3680 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5890 0.2340 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0680 0.4630 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 1.7710 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 2.1930 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 1.0390 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3260 -0.0120 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5530 1.1680 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0940 2.4420 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2520 3.5380 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 3.3940 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5070 -2.5140 -0.3560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 5.3110 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 6.0040 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 4.8260 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 2.2500 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 3.4430 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 1.4500 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 -0.2760 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 -2.5460 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8800 -3.6070 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 1.3090 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1900 0.2980 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1660 2.5800 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 4.5290 0.0060 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END