PUBCHEM-ZINC06382161 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6960 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0950 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7820 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0690 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.9880 -2.8770 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1390 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8400 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -4.1440 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.8360 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -4.4390 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -5.1200 5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -6.2290 6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -6.6340 4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -5.9330 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -7.7360 5.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -8.2490 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -7.9670 6.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -7.0770 7.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -9.0560 7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -9.1970 8.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -10.2150 9.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -11.0960 9.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -10.9630 8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -9.9450 7.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1600 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1360 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -4.5450 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.3070 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -3.5860 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -4.8060 6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -6.2380 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -8.5100 9.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -10.3240 10.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -11.8920 9.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -11.6550 7.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -9.8400 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END