OTAVA-ZINC01968949 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.8240 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -2.2490 -2.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.5140 -2.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -3.9350 -3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -5.3780 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -5.8340 -5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -7.1880 -5.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -8.0990 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -7.6620 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -6.3060 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -5.8750 -1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -6.8770 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -6.2160 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -5.9260 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -5.3200 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -5.0050 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -5.2960 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -5.9070 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -4.1760 3.7220 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -2.9840 -0.2690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.1620 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -3.2240 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -5.1260 -5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -7.5390 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -9.1580 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -8.3790 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -7.5070 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -7.4890 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -6.1710 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -5.0920 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -5.0500 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -6.1380 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -4.1900 -0.9000 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 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 M END