PUBCHEM-ZINC00712213 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6060 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1590 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -1.8380 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.6150 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0060 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.8280 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -2.2570 0.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -3.0220 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -4.1370 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -4.9020 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -4.5900 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -3.4760 4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.6990 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -3.3380 6.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -4.7660 6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -5.2340 5.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -5.4620 7.7610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -6.8600 7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -2.6610 -4.6960 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.2360 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1460 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -3.6920 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.9060 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -4.3900 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -5.7580 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -1.8440 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -6.4910 6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -7.5190 6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -7.4130 8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END