PUBCHEM-ZINC03752457 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 0.1290 1.5570 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.0580 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6530 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.0440 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.7810 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -2.1090 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.7160 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.3320 -2.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 0.6260 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -1.4180 -3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.5540 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -3.9830 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -4.6240 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -4.4000 -3.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.2550 -4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -0.5200 -5.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.3590 -6.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.9300 -7.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.6610 -7.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -1.8250 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.4330 -8.0880 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.8890 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.9830 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.9590 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.1060 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -2.5620 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -3.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.0690 -4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -4.5440 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -0.0810 -4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 0.2060 -7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.8030 -8.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -2.3960 -5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -5.3430 -1.7970 O 0 5 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 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 34 -1 M END