PUBCHEM-ZINC00694829 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7790 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0820 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8180 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.1160 -2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -4.8140 -3.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -6.4700 -3.6990 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -6.8720 -5.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -6.8580 -2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -7.0130 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -7.2320 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -7.6580 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -7.8650 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -7.6450 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -7.2240 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -8.4470 -0.5850 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6210 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8590 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.2770 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -4.3280 -4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -7.0710 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -7.8290 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -7.8060 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -7.0560 -0.9360 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 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END