IFLAB-ZINC02685321 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0860 1.2700 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.1600 0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.7010 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -0.0720 1.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.1740 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.8920 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -4.2920 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -4.9910 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.2760 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -2.8740 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -6.4220 1.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -7.3530 0.9430 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -7.0880 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -8.7070 1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -6.6760 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -6.1300 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -5.5510 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -5.5140 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -6.0760 4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -6.6660 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -6.0510 5.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -6.5520 6.6930 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.7020 5.0230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 1.6530 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 1.5920 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 1.6660 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -2.3700 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -4.8230 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -4.7890 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.3480 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -6.8560 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -6.1340 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -5.1120 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -7.0970 3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -5.5630 6.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 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 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 2 0 0 0 0 M CHG 1 22 -1 M END