CHEMDIV-ZINC02721085 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 -0.7850 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1770 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.4140 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.5640 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.5140 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.3040 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1200 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7900 -1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.4570 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.2390 2.7740 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.1370 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 0.3310 4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 0.4130 4.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 0.8070 6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 1.0930 7.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 0.8900 6.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 1.2970 7.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 1.3730 8.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 1.0460 7.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4490 0.6410 5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 0.5670 5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6840 1.1520 7.5560 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 0.0710 -3.4610 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -5.5210 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -5.4320 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2750 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 0.5730 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -1.1200 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.3790 5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 1.3130 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 0.1850 4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 1.5520 8.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 1.6880 9.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 0.3860 5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 0.2560 4.5650 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END