PUBCHEM-ZINC04546549 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.1720 0.7720 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.6480 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -1.0590 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -2.3720 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -3.2930 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -2.9010 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.5890 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -1.1750 -3.4810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -2.6160 2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -3.9310 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -4.0370 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -3.0770 4.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -5.3560 4.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -5.8830 5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -4.9670 7.3010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -7.2790 5.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -8.2630 6.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -7.9990 7.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -9.0220 8.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -10.3270 8.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -10.6140 7.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -9.5910 6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -10.0040 5.2680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -8.7230 9.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -7.5390 9.8270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9460 0.8020 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 1.2650 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 1.3540 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.3490 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.3210 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -3.6290 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -4.2020 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -4.6450 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -6.0500 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -7.6800 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -7.0060 7.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -11.1280 9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -11.6350 7.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -9.6830 10.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 39 2 0 0 0 0 M CHG 1 25 -1 M END