PUBCHEM-ZINC02843125 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2080 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.3950 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 4.3670 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 5.6890 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 5.6360 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 4.3380 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 6.7480 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 6.5540 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 5.2240 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 4.1700 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 7.9390 0.0720 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 7.6900 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 9.0970 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 7.9170 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 7.2340 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 7.2180 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 7.8830 -3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 8.5660 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 8.5870 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 7.8600 -5.4530 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.4450 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -2.8390 0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8590 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.9270 -1.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 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 3.3400 -0.5210 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9380 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 4.0430 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 6.5800 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 7.7500 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 6.7140 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 6.6840 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 9.0860 -4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 9.1230 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -2.2650 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -3.8720 -1.8260 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M END