KEYORGANICS-ZINC04054558 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -2.4640 -0.5600 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -0.9900 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.0140 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -1.4080 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -1.7790 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -1.7540 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.3640 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -2.1480 -1.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5050 -1.5010 -2.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -3.1200 -1.3620 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4170 -2.1770 1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -1.5260 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -1.3270 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -1.3680 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 0.0090 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 0.8120 3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.4330 2.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.4600 3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.4280 3.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4490 0.5170 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -1.0710 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -0.8150 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.7250 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.3490 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.5920 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -2.2000 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -2.1670 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.9080 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -0.3920 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 0.3070 2.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 1.1760 2.5270 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 17 1 M CHG 1 19 -1 M END