CHEMBRIDGE-ZINC02908735 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.3750 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0110 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6600 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.0600 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.4240 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0950 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.5640 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 4.3750 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 4.0930 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 5.6640 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 5.5920 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 4.3000 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 6.7350 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 7.7580 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 8.8210 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 8.8720 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 7.8590 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 6.7890 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 10.3320 -0.8190 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 6.8850 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 8.0060 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 9.1430 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 9.1770 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 8.0700 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 6.9240 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 10.7410 -0.3310 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -2.1280 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.7540 0.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.8930 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.5450 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -0.4580 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 1.9810 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 7.7200 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 9.6140 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 7.9040 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 5.9960 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 7.9810 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 10.0100 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 8.1030 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 6.0600 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.7750 0.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -3.7370 0.9190 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 M END