SPECS-ZINC04100962 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6940 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1000 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.7710 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -3.9840 -0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.0010 -1.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6620 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0150 -2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.6400 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7880 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.1450 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.7570 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0610 2.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.9220 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -3.2350 5.2910 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.7230 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -2.3480 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.3240 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.2420 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.3530 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -3.8780 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 11 2 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 10 1 0 0 0 0 8 9 2 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 M END