KEYORGANICS-ZINC04054766 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.5490 1.4670 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.0340 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.2580 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -1.7600 -0.6810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6780 -2.2330 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.9820 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.5700 -2.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -2.3460 0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -3.7010 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -4.4680 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -5.8080 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -6.3860 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -5.6260 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -4.2870 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -3.4750 1.8680 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7830 -2.6190 1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6640 2.9870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4380 1.9260 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 1.9190 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 1.6270 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.4860 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.4930 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.1930 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.2000 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.7930 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -4.0170 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -6.4040 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -7.4340 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -6.0810 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.5270 -3.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.6940 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END