IBS-ZINC00100237 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 1 0 0 0 0 0999 V2000 -0.1390 1.3960 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.0280 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.6000 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.1500 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.5320 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 2.1470 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 2.0370 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6490 2.7520 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 0.8750 -0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -0.2180 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -1.3460 -0.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 2.6680 1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 3.7410 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 4.1260 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 5.1950 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 5.8460 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 5.4090 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 7.3130 1.0060 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 1.8810 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.5520 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -1.6680 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 3.2160 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.3360 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.5980 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 5.5170 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 5.9120 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 4.3890 2.2180 N 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END