CHEMBRIDGE-ZINC04946538 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2210 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1880 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6020 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 3.4050 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2480 -2.1620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.8330 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.0510 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -4.6840 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -4.0410 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -6.1600 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -6.8200 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -8.1980 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -8.9280 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -8.2800 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -6.9020 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -10.8180 -0.0420 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -2.8310 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -0.4790 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -6.2520 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -8.7100 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -8.8550 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -6.3980 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -2.3310 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -3.8010 -0.0410 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END