PUBCHEM-ZINC05998400 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.1150 1.3550 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.0390 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.9640 -0.4540 P 0 0 3 0 0 0 0 0 0 0 0 0 -2.3620 -0.5530 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.7130 -2.5280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -2.9650 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -3.7540 0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8490 -3.3080 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -5.2500 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -5.8220 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -7.1970 1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -8.0180 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -7.4650 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -6.0910 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -3.4080 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -3.4280 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.8410 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 1.7540 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 1.5640 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -1.7920 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -5.1960 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -7.6240 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -9.0860 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -8.1010 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -5.6740 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -3.1450 -2.2360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 M CHG 1 26 -1 M END