PUBCHEM-ZINC05963858 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.5960 1.5220 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 0.1560 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.1920 1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1050 -0.6130 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -0.8440 -0.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3270 -0.1250 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0660 -1.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -2.0380 -0.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4760 -2.8170 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -1.6650 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -2.8350 -2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -3.3700 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -2.6980 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -2.3230 1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 0.8880 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 1.9000 1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.9250 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 2.3570 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.6710 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 1.6050 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.1770 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -0.9940 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.7300 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.9340 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.9400 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -1.2890 0.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -1.4810 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -3.5700 -0.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7200 0.6180 3.3260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END