KEYORGANICS-ZINC04052847 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.1930 1.4330 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.0760 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -0.8680 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -0.3450 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.1430 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.5180 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.0550 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -2.2590 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.8590 -0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1060 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.7090 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.1060 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.0920 -3.1460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1210 -2.8490 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -2.6560 -3.4770 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6920 -0.6070 4.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.2420 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.1870 7.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 0.9160 7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.5620 6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 0.5960 5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 1.7940 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 1.9190 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.7740 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 0.7320 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -3.2130 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -4.1340 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.7140 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.0130 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.6360 8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.1950 6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.4090 6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 1.9590 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.1160 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.2790 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 0.8230 -2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -3.6640 -2.7730 O 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 2 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 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 16 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 2 0 0 0 0 14 15 1 0 0 0 0 14 37 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 15 -1 M END