CHEMBRIDGE-ZINC02975325 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.5310 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0010 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5070 -0.3580 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.4960 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.1950 2.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.1600 1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.6740 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -0.1980 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 0.5060 1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.5530 3.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -0.1920 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 1.0230 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 1.3760 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 0.5220 3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 -0.6900 4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 -1.0460 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 1.0090 3.7150 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.4990 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -0.6340 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.3410 -2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -1.1480 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 1.9030 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8900 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.8900 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.3150 3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -1.7640 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -1.0600 4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 1.6900 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 2.3210 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -1.3560 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -1.9890 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -0.7340 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -0.4810 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -1.1880 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -2.1480 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END