PUBCHEM-ZINC04702563 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -0.5550 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9510 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.6800 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -2.7530 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -3.1100 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -4.5700 0.0020 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 0.2270 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -0.3830 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 0.3600 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 -0.2730 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4220 -1.4880 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 0.5100 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 -0.1350 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0180 0.6450 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8980 2.0230 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 2.6040 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 1.9060 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -2.4600 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -3.6830 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.2060 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -3.7130 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 1.3060 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 1.3290 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9400 -1.2130 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9940 0.1820 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7890 2.6340 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6460 2.4170 0.1100 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 M END