PUBCHEM-ZINC02178061 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5270 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0030 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.5330 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.9620 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -2.5950 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -1.8550 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -2.4940 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -3.8720 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.9790 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -6.1020 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -6.7550 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -6.7230 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -8.0700 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -8.9900 -0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -8.6920 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 -10.0790 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -10.7050 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -12.0830 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -12.7910 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -12.1040 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -10.7880 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -12.8650 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 -14.6760 -0.4620 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.9040 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8850 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.8810 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.3570 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.3610 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.1780 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.1740 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -0.7760 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -1.9120 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -4.3680 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -4.5560 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -6.2020 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 -8.1730 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -10.1240 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 -12.5970 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -12.9680 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -12.3250 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -13.8540 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END