PUBCHEM-ZINC00695840 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2090 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.8470 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 4.2690 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 4.2340 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 4.3290 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 3.9960 2.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 4.3860 3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 4.0310 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 4.3780 5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 3.8140 6.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 3.1570 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 3.2900 4.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 2.4150 5.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0620 2.3410 6.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 1.8290 4.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2360 -2.5700 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 4.8620 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 4.9800 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 4.9590 6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 3.8670 7.2830 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END