IBS-ZINC05164217 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0960 1.0940 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.4310 0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7650 -0.7550 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -0.8640 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.5260 -2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.5140 -1.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -0.9660 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -1.0190 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -1.1580 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -0.6310 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.7660 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -1.4330 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -1.9680 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -1.8180 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -2.5630 2.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.4740 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -2.9680 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 -3.5520 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -3.4680 2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 -4.0190 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -4.6530 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2530 -4.7390 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 -4.1990 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6800 -5.4040 1.6330 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -1.7420 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -1.4560 5.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 1.5430 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 1.4180 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.4070 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -0.6150 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -2.0550 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.5670 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -0.1150 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.3570 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -2.2190 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -2.9330 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -2.9740 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -3.9550 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0660 -5.2350 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 -4.2700 5.8080 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 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 M END