PUBCHEM-ZINC05138778 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.9210 1.0480 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.0020 0.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2400 -0.8210 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.5460 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 0.1390 2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.8530 1.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.6270 2.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2460 -1.9700 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -3.0910 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -2.5560 4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -2.9540 5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -3.8880 5.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -4.4230 3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -4.0240 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -3.8610 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -4.2010 1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 0.7370 -0.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.9090 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 1.4130 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 0.6200 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.3810 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -1.8170 5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -2.5310 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -4.1970 5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -5.1510 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -4.4480 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.5700 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -4.3520 3.1230 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 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 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 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 17 27 1 0 0 0 0 M CHG 1 28 -1 M END