CHEMBRIDGE-ZINC00941017 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0590 0.6630 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.6870 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -1.3710 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -0.6970 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.6800 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 1.3510 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 1.0770 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 2.1940 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -0.0050 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -1.0900 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -2.2050 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -0.0030 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 0.3070 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 0.3090 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 0.0850 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 0.5610 2.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 0.5620 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9070 0.2460 1.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 0.8140 3.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1800 0.7270 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9070 1.3340 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 1.2460 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9420 0.5560 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2230 -0.0500 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8430 0.0390 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 -0.7150 5.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.1850 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -1.2120 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -2.4260 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 2.4060 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -0.9820 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 0.7560 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 1.2860 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -0.4520 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.7400 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3190 1.0550 4.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 1.8730 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8510 1.7180 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0200 0.4880 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7390 -0.5890 5.4440 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 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 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 M END