IBS-ZINC05179200 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.1080 1.0920 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -0.4360 0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1760 -0.7760 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.8830 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -1.5280 1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.5640 2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.0290 3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.9910 -0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.1190 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.6110 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.7340 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -1.3710 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -1.8870 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.7480 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.4530 -5.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.3620 -6.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -2.8320 -7.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.3850 -8.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -3.2970 -7.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -3.8180 -8.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -4.4280 -9.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.5200 -10.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -4.0080 -9.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -5.3550 -11.8010 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -1.6610 -5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.3840 -6.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 1.4320 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.4150 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 1.5160 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -2.1170 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -0.6140 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.7040 4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -0.1190 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -0.3400 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -2.1340 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.7990 -8.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.8210 -6.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -3.7510 -7.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -4.8340 -9.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -4.0830 -10.0980 H 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 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 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 M END