IFLAB-ZINC00086615 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0170 0.9800 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.3850 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.9130 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -0.0960 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 1.2970 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.8130 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 2.2760 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 2.3080 1.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3110 1.3310 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 2.9230 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 3.4410 1.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 3.3830 2.6730 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -0.7660 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.1580 0.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0140 1.3980 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -1.0410 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -1.9860 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.8800 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 2.0270 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 3.2810 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.9010 -0.9370 O 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 3 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