PUBCHEM-ZINC05829609 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 24 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.4500 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0730 0.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4760 -0.5080 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.5870 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.7620 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.5300 -0.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 0.2360 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -1.8510 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.7820 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -2.1290 -2.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7450 -1.4060 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -2.1770 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -3.2820 -4.9350 S 0 5 0 0 0 0 0 0 0 0 0 0 1.3490 2.0880 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.7290 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.8630 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.7470 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.7440 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.5490 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.1540 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -3.4790 -2.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9480 -4.1100 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -3.4600 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -3.8050 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 2.8840 1.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 21 1 M CHG 1 25 -1 M END