IFLAB-ZINC00086615 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.0830 1.0480 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.3230 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -0.8880 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -0.0740 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 1.3080 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.8600 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 2.1940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 2.1170 1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5360 1.0760 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 2.8740 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 3.4590 1.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 2.8860 2.7100 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -0.6730 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 0.0420 -0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 1.4860 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -0.9510 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -1.9580 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 2.9300 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 1.8610 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 3.2230 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -2.0130 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -2.3580 -0.3810 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 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 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 3 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 M END