CHEMBRIDGE-ZINC01201994 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 0.0560 1.5550 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.0490 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.5830 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.9600 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7170 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.0730 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.6950 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.1940 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.7520 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -4.9210 -1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -6.3210 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -7.0000 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -6.4600 -1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -8.4690 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -9.4320 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -9.2230 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -8.0860 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -8.2150 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -9.4710 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -10.6040 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -10.4950 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -11.4560 -2.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -10.8940 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -11.4860 -1.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -6.6760 -2.4230 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -8.7070 -0.9240 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -6.9780 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -6.2800 -0.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 1.9180 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.8760 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.9590 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.0040 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -2.4520 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.6530 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.1950 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -4.4760 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -7.1080 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -9.5640 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -11.5760 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -12.4110 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END