CHEMDIV-ZINC03013687 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2070 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 2.1920 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1340 2.1580 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 4.1660 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0960 4.4870 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.1700 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 1.5520 1.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 5.3710 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 5.4940 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.6320 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -2.0600 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -2.6150 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -2.8760 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -3.3860 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5020 -3.6360 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -3.3750 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -2.8700 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 -4.3330 -0.1040 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 3.2960 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 3.2760 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -2.4080 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -2.3990 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -2.6800 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -3.5890 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 -3.5690 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 -2.6700 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 3.5910 0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 4.1810 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 6.3080 1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 7.0630 0.6900 H 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END