PUBCHEM-ZINC04237711 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.2700 0.6670 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.3810 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.7580 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.7450 -2.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -2.4590 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -1.8650 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -2.5760 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -3.8790 -4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -4.4800 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -3.7840 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.4260 -1.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2470 -3.8670 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.4680 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -5.5900 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -4.8440 -5.3050 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.3000 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 1.5840 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.9180 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.2780 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.0120 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.1250 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -1.1360 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -0.8520 -4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -2.1070 -5.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -5.4970 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -3.4120 0.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2220 -5.8280 -1.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -6.0850 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -6.3840 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 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 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 26 -1 M END