PUBCHEM-ZINC06292540 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.9000 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.5750 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -0.9170 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 2.1540 -0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 2.0870 1.9080 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 4.1870 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 4.8150 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 4.5360 -1.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1860 5.0340 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 5.0580 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 4.2990 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 6.3650 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 6.6520 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 3.0880 -1.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.1560 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -0.1950 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 5.8890 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 4.3170 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 2.8820 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 2.6030 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 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 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 9 1 M END