PUBCHEM-ZINC04680223 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.1230 0.4170 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.9720 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.1330 0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -2.3210 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -3.4110 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -4.5690 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -4.6500 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -3.5690 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.4040 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -3.6140 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -2.5730 0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -4.8560 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5650 -5.3600 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 -4.6240 0.9070 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 -6.5470 -0.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3390 -7.7080 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -8.6190 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 -9.8180 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7530 -10.1340 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7590 -9.2440 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -8.0330 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4710 -9.5340 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7040 -9.8230 2.1620 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.5320 -11.6750 -0.0810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.5920 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 0.5460 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 1.1820 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -1.7170 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.0670 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -3.3890 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -5.4070 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -5.5480 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -1.5530 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -5.5210 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -6.5750 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -8.4080 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 -10.5110 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -7.3870 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7770 -9.4310 3.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 M CHG 1 23 -1 M END