CHEMDIV-ZINC06748981 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.7480 -0.3040 -6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -1.3150 -5.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.6650 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -3.6030 -4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -3.2050 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -1.8520 -3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.9140 -4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.1900 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -5.1490 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.4220 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -6.5360 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -7.2240 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -6.9120 -0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -5.8570 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -5.3450 -1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -4.3570 -1.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -3.8220 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -8.3600 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -8.1720 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -9.2100 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -10.4590 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -10.6730 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -9.6330 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -10.0310 -2.2090 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -4.6850 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -3.4780 -2.8370 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7720 0.0820 -6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.5320 -6.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.7490 -7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -2.9980 -6.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -4.6460 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -1.5100 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.1350 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -6.8680 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -7.2010 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -9.0400 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -11.2670 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -11.6550 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -5.3520 -4.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 39 2 0 0 0 0 M CHG 1 26 -1 M END