PUBCHEM-ZINC04534235 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.0020 1.3490 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.0260 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.6230 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.0490 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 1.3880 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 2.0010 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 3.2810 0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 3.9520 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 3.5120 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 2.3670 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 2.1550 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 3.3330 0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2150 4.0280 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 2.8440 -0.2320 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9980 2.3170 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 4.0260 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7060 4.7200 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 4.7560 1.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6040 5.6140 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 5.1570 1.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1100 5.8180 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 3.9820 1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 5.9910 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 5.7110 3.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 3.8450 2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 3.0120 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 3.5510 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 3.0580 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 1.8840 0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 1.2550 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -0.6610 -0.8690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.4190 -1.6340 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8450 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -0.4910 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 4.4610 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 6.9320 2.8110 O 0 5 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 36 -1 M END