IFLAB-ZINC04504613 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2050 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 2.1620 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.5670 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 3.5100 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 4.2570 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6480 3.7220 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 5.6620 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 6.5310 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 5.8330 1.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 6.7610 2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 5.3040 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 4.4570 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.9220 -0.0390 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7660 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 3.9850 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 5.5910 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 6.1090 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 6.4610 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 7.5680 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 4.7420 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 3.5570 1.7950 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END