PUBCHEM-ZINC05382997 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 0.7600 0.7920 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.2720 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 1.5980 -2.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.3750 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 1.9350 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 2.2210 -2.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 2.1520 -1.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 2.7030 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 2.8270 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 3.3760 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 3.7830 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 3.6290 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 3.1080 -3.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 4.5390 -5.5440 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 2.3780 -0.7440 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5260 1.8690 -0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 2.5190 0.2640 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8500 -0.2930 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 1.2460 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 1.0760 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 1.0300 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 1.9830 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 1.9240 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 3.4850 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 3.9440 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END