PUBCHEM-ZINC02857837 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.4790 0.6020 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.5500 -1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -0.9160 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.1840 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5580 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.6630 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.3990 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0330 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.7800 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.1240 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -4.9220 0.0590 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.8380 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -6.2310 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -6.9610 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -8.3430 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -8.9500 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -8.1620 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -6.8460 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -10.8360 0.0930 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -2.1260 1.6870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.7840 -3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.4320 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.4680 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 0.6800 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.0150 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -3.2610 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.3300 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -4.3840 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -6.4560 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -8.9370 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -8.6300 0.1380 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 M END