KEYORGANICS-ZINC04054458 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.5680 1.3060 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.1810 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.7150 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -2.0760 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.9100 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -2.3700 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.0070 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -3.2540 -2.2500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8260 -2.7820 -3.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -4.4540 -2.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1990 -4.2870 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -4.6930 -0.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7260 -4.1170 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -4.4350 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -6.1610 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -6.8920 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -6.6620 -1.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -8.1050 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -8.5670 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -7.7310 -2.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -6.3570 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -5.7820 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.6470 2.5710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6790 -1.9160 3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -3.8480 2.6880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6120 1.5500 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.6120 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.8300 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.0660 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.5860 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -4.7990 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -5.0810 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -3.3920 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -4.6490 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -8.2960 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -8.6430 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -9.6000 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -8.4970 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -5.7990 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -6.2780 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -4.7820 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -5.7350 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 23 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 30 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 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 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 23 1 M CHG 1 25 -1 M END