CHEMDIV-ZINC00227107 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1010 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -2.6660 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0240 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -3.0350 -0.0310 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -2.6290 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7820 -1.8880 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -3.5110 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -4.1170 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -3.8670 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 -4.9360 2.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -3.4850 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -3.5210 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -3.7450 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -4.3060 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -2.9070 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -5.1360 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 -5.3260 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -4.2070 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -4.7400 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 M END