NIH-ZINC00114207 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.1100 1.5370 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0150 0.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3540 -0.3410 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -0.5120 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -1.1420 -1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.4980 -0.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.4200 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.0950 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.0500 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -0.9400 -2.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.4690 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -1.3340 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -1.8270 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -2.4600 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -2.6010 -5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1050 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 -3.1330 -6.8100 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.9710 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.9090 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 1.9210 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.9520 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -2.1050 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -0.5220 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -0.8390 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -1.7120 -4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -3.0950 -6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -2.2320 -4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -0.2660 0.8680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 28 -1 M END