PUBCHEM-ZINC06158782 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 0.0970 1.6380 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.2400 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 0.0580 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.7120 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.1230 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -2.8040 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -4.2110 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.9410 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.2880 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.8840 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -2.1820 1.5500 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -6.8300 -1.3410 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.0380 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.7710 -3.6210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3210 2.3220 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.6790 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 1.9510 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.3780 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -4.7220 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -4.8730 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.6980 -4.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 M CHG 1 14 -1 M END