CHEMBRIDGE-ZINC01160267 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.5860 1.5330 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 0.0260 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.6860 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.0640 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.7420 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -2.0170 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -0.6380 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 0.1450 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -4.2190 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -4.8050 -0.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -4.9150 1.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -6.2620 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -7.0890 -0.2820 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.9580 2.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -8.3550 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -9.1140 2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -10.4930 2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -11.1290 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -10.3750 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -8.9810 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -11.0500 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -12.2620 0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -12.8620 2.2970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.9210 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.9010 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 1.8660 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -0.1600 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.6190 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -2.5350 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.3590 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -0.4380 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.0820 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.4470 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -6.4920 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -8.6230 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -11.0770 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -8.3930 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -10.3200 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -10.8070 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 M END