CHEMBRIDGE-ZINC00828410 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 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 1.1810 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1400 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 1.4800 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 0.0880 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -0.6750 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -2.1430 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -2.7450 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -4.1440 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -4.7680 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -4.1160 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -6.2440 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -6.9960 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -8.3740 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -9.0110 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 -8.2740 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -6.8930 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 -5.8860 -0.1240 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -0.5290 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 3.2200 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 2.0500 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -2.7220 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -4.6650 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -6.5000 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -8.9560 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 -10.0900 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -8.7780 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -0.7120 0.8250 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 23 36 1 0 0 0 0 M END