KEYORGANICS-ZINC04072872 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 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 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.6390 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -3.9450 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -4.4360 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -3.6210 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3150 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -1.8230 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -4.1470 3.4490 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8910 -5.2980 3.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -3.4290 4.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.6610 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -3.2670 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -2.4860 -2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -3.0500 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -2.6390 -2.7640 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -4.5810 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -5.4560 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -1.6790 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -0.8010 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -4.1290 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -2.6080 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -2.8370 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END