CHEMDIV-ZINC04201231 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.5190 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0110 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5300 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 0.1930 0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.5210 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -1.9610 0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8020 -1.9910 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -2.6260 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -1.8780 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -2.4880 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -3.8450 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -4.5920 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -3.9810 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -4.6800 5.0980 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.5830 -1.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 0.0170 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -0.7010 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 1.4810 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 2.3290 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 3.6910 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 4.1670 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 3.3440 0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 2.0410 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.8950 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8790 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8730 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.3650 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.3710 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -2.4800 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -2.4940 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -0.8190 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -1.9040 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -5.6520 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -4.5640 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -2.5270 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 1.9300 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 4.3760 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 5.2300 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 1.4000 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 M END