CHEMDIV-ZINC04201232 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.5190 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0110 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5310 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 0.1920 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.5210 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -1.9610 0.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8020 -1.9920 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -2.6150 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -1.8820 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -2.4820 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -3.8170 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 -4.5500 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -3.9510 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -4.6380 -5.0520 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -2.5930 1.2180 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 -0.0580 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 1.0070 1.8940 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8800 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8720 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.3640 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3720 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.4790 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.4960 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -0.8400 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.9090 -4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -5.5920 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -4.5240 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -2.5380 1.2960 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