CHEMDIV-ZINC02266507 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3960 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 1.2330 -0.6620 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0230 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.3420 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0680 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 3.9590 0.0110 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.1900 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.1200 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.8820 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -4.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -5.1750 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -6.6500 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -7.0260 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.9370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.7410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.8630 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.5860 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -2.6370 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -2.6270 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -4.6250 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -4.6340 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -4.9300 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -4.9200 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -7.5460 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -8.4800 -0.0050 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 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 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M END