PUBCHEM-ZINC05419873 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0380 1.4690 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.0520 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.3310 0.9120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0050 -0.4930 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.9180 0.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 1.8950 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 1.0500 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 0.2040 2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 2.3280 1.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4610 3.2140 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 2.4020 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 3.6090 0.3130 S 0 5 0 0 0 0 0 0 0 0 0 0 2.0250 -1.5990 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.4070 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.8390 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 1.8360 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.5020 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.4420 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 1.8000 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 2.9150 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 1.4020 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 2.7030 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 2.3720 2.5330 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4640 1.4160 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 2.8300 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 2.9200 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -2.6890 0.8190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 23 1 M CHG 1 27 -1 M END