PUBCHEM-ZINC06468038 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.9200 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -1.3660 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3810 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -0.9500 -2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -0.5000 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -1.9910 -5.0690 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -1.1210 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -1.3060 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -1.7690 5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.9710 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -1.5610 3.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -2.4620 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -2.7220 7.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -2.6240 5.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -3.1120 6.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -0.9090 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.7020 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -0.9620 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -0.1600 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -1.1020 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.9590 6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -2.4160 7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -4.0910 6.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -3.1970 5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END