PUBCHEM-ZINC05419887 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.2800 -0.5190 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.0220 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.0500 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.6880 -1.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.1970 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3930 -2.5320 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -2.8020 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -2.4560 -2.4970 S 0 5 0 0 0 0 0 0 0 0 0 0 1.1130 -2.8080 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -2.4560 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.0680 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 1.2710 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -0.6310 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.3880 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.7610 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 0.2570 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -3.8860 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -2.4410 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -1.3160 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -1.1590 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 0.1150 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -3.5590 0.6970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 22 -1 M END