CHEMBRIDGE-ZINC00681000 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.4250 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1000 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5450 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.9300 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.6770 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0370 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.8300 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.2700 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.1770 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -4.9020 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -4.1120 -0.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -6.2480 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -6.9960 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -8.3800 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -9.1110 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -8.4300 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -7.0550 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -6.3840 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -2.7970 0.0150 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8020 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7840 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.7780 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 1.1790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0330 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -3.7560 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -4.6240 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -6.6960 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -8.8770 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -10.1870 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -8.9710 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -6.5210 -0.3220 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 M END