PUBCHEM-ZINC00391006 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0830 1.5620 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.0520 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.7050 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -2.1290 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.8040 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.0440 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.6320 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 0.3820 -2.8570 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -2.9660 -2.9640 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -4.3120 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.8270 2.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0490 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.7130 3.5520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9190 1.9870 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.9900 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.9030 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -4.6540 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -4.7440 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -4.7310 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.2030 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.8210 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.0690 2.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 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 12 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 M CHG 1 13 -1 M END