KEYORGANICS-ZINC04053248 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8240 -1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1160 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 0.0550 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.0460 -1.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.2430 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -2.8780 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -1.8670 -3.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -0.7710 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -0.0530 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -2.4440 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -1.6560 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -2.2300 -6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -3.5880 -6.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -4.3760 -5.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 -3.8100 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 -4.2000 -7.5840 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4670 -3.5070 -8.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -5.3960 -7.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.9410 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.6880 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.1510 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -1.9610 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -2.9540 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -3.7020 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -3.2520 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -0.0670 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -1.1750 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 0.6830 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 0.4440 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -0.5940 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -1.6170 -6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -5.4370 -5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -4.4270 -4.0540 H 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 1 0 0 0 0 2 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END