PUBCHEM-ZINC04166130 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.2820 1.9150 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 0.6080 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.3360 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.0180 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 1.3480 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 2.2830 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 1.7790 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 0.8700 1.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4410 -0.8960 0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.2280 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -2.8840 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -2.9340 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -4.3350 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -5.0630 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -4.4020 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 -3.0030 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -2.2720 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -5.0570 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -6.4200 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 -7.3360 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0860 -6.7580 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -6.3790 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0800 -6.6840 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 -7.3660 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 -7.7430 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 -7.4410 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9900 -7.9420 -2.2530 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 2.6480 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 0.3180 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -1.3430 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 3.3080 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.4300 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -4.8780 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 -6.1450 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.4530 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -1.1910 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -4.4450 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -5.8570 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 -6.3970 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8310 -7.6040 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7010 -8.2690 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 2.9850 1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 42 2 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 8 -1 M END