IBS-ZINC01310225 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.1340 1.4430 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0200 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -0.8550 1.0890 P 0 0 3 0 0 0 0 0 0 0 0 0 2.1730 -0.3420 1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.5890 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -3.7110 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -5.0800 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -6.0370 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -7.3540 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -7.7270 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -6.7820 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -5.4630 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.7340 2.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1290 0.3140 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.3570 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.7180 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -3.2890 2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.4990 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.1380 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -0.5660 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -3.2800 2.3620 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.4240 3.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 1.8830 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.8140 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.7160 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -5.7470 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -8.0960 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -8.7590 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -7.0800 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -4.7280 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -3.3340 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -4.3520 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.5200 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 0.4970 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.3650 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 22 35 1 0 0 0 0 M END