KEYORGANICS-ZINC02570937 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 1.1910 1.3930 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.0120 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.0060 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.3870 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.8480 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2630 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 3.2580 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 3.5720 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 4.9080 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 5.9190 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 5.5950 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 6.6610 0.3180 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5560 7.8260 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 6.3730 0.2240 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9740 5.2480 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 4.3040 0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 4.6200 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 3.8770 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3720 4.2010 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8880 5.2600 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0680 6.0000 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 5.6840 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 7.3260 -0.9800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 3.2790 2.5320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.5720 0.0260 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9330 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.5270 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -0.5370 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.9230 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 2.2270 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 2.7900 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 6.9510 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 6.2780 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 3.0510 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 5.5090 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 6.2590 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END