IFLAB-ZINC02549354 MOE2007 3D Structure written by MMmdl. 31 33 0 0 0 0 0 0 0 0999 V2000 5.8740 3.8870 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 3.5240 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 3.9290 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 3.6060 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.8660 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 2.4570 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 2.7900 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.6780 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.3000 2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 1.3810 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 1.8280 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 2.5400 -1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.5160 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 1.0040 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 0.7110 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 0.9330 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.4460 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.7380 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.5340 -6.4250 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.6630 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 4.8440 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 3.1170 4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 3.9640 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 4.5040 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 3.9260 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 2.4760 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.8340 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 0.3110 -5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.6170 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 2.1380 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.2920 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 M END