PUBCHEM-ZINC03787114 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3610 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -0.6830 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.0690 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -0.3610 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.4110 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 2.0660 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0490 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.5140 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1140 3.8760 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 4.0670 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 4.8700 0.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0500 4.2050 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 5.5290 -0.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1940 6.3970 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 4.1580 -1.5450 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 5.9050 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 4.7500 -1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 5.8850 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.7790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.1020 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.0820 -0.2290 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8930 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 4.7110 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 3.2340 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 6.2830 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 6.6750 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 4.9140 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 5.5440 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -0.2690 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.6180 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 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 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 M END