KEYORGANICS-ZINC04072856 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.8090 1.2930 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -0.1090 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.5960 -1.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.8510 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.7290 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.1810 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.0040 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -4.3810 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.9300 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -4.1120 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -6.3940 0.6670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7420 -6.8750 -0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -7.1190 1.5640 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2080 -5.4310 3.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -4.2970 4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -3.9550 4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -3.0660 5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -2.5160 6.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -2.8530 6.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -3.7460 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.1750 5.4550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -4.6440 2.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 1.8440 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 1.5160 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 1.5870 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -2.2540 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.1130 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.5810 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -4.5390 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -2.8000 5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -1.8210 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.4220 6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END