CHEMDIV-ZINC00087694 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -2.4190 -0.1420 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.7860 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -1.5000 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.0990 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -2.0090 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -1.2620 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.6620 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0540 -2.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -0.5880 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.7770 -3.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.1520 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -0.5040 -6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 0.2350 -7.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.5860 -7.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 2.1760 -5.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 1.5170 -4.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.5910 -8.8930 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -1.2800 -1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -2.0950 -0.3490 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -2.5000 0.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 0.8710 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -0.1060 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.7240 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -1.5770 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.6450 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.0140 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -1.5590 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 2.1650 -8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 2.0370 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END