PUBCHEM-ZINC05132631 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.9070 1.3760 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.1050 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.8380 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.2150 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.8600 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -2.1490 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.7630 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.0390 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -3.0760 -2.7840 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.9240 -3.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.3970 -2.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -2.2110 -3.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -2.5630 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -2.2020 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -2.5860 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -3.3340 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -3.7000 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -3.3200 -3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -3.8460 -5.1140 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.9760 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -4.2200 2.2670 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8260 1.6040 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.9380 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.7320 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -0.3280 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -3.9290 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 0.9090 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.5260 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.3920 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -2.0760 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -1.6140 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -2.3040 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -3.6350 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -4.2860 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -2.3120 3.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 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 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 2 0 0 0 0 M CHG 1 21 -1 M END