CH3CN Mon Jul 20 17:14:58 2009 30 254 5 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 s -1 3 0 30 0 6 2 2 -1 1 0 s -1 2 0 30 0 6 2 2 -1 1 0 s -3 1 0 30 0 6 2 2 0 1 0 1099 1.489000744965263E+005 1.00000000E+035 /A-B 199 9.198899134238422E+003 1.00000000E+035 /B -122 -9.198899134238422E+003 1.00000000E-037 /B 2099 -2.825727761558185E+000 1.00000000E+035 /-DK 1199 -1.774079636037830E-001 1.00000000E+035 /-DJK -1122 1.774079636037830E-001 1.00000000E-037 /-DJK 299 -3.807528307822022E-003 1.00000000E+035 /-DJ -222 3.807528307822022E-003 1.00000000E-037 /-DJ 3099 5.100000000000003E-005 1.00000000E-035 /HK 2199 6.063055913675350E-006 1.00000000E+035 /HKJ -2122 -6.063055913675350E-006 1.00000000E-037 /HKJ 1299 1.025607036083892E-006 1.00000000E+035 /HJK -1222 -1.025607036083892E-006 1.00000000E-037 /HJK 399 -2.559587697203389E-010 1.00000000E+035 /HJ -322 2.559587697203389E-010 1.00000000E-037 /HJ 3199 -4.463008629782497E-010 1.00000000E+035 /LKKJ -3122 4.463008629782497E-010 1.00000000E-037 /LKKJ 2299 -5.257771822451086E-011 1.00000000E+035 /LJK -2222 5.257771822451086E-011 1.00000000E-037 /LJK 1399 -7.888706656798272E-012 1.00000000E+035 /LJJK -1322 7.888706656798272E-012 1.00000000E-037 /LJJK 499 -1.801573457332452E-015 1.00000000E+035 /LJJK -422 1.801573457332452E-015 1.00000000E-037 /LJJK 2399 5.288193146448651E-016 1.00000000E+035 /PJK -2322 -5.288193146448651E-016 1.00000000E-037 /PJK 1499 5.607105581801602E-017 1.00000000E+035 /PJJK -1422 -5.607105581801602E-017 1.00000000E-037 /PJJK 110010011 -6.334864531631965E+000 1.00000000E+035 /1.5eQq 10000011 1.784621615730072E-003 1.00000000E+035 /C 10010011 -1.237644106444614E-003 1.00000000E+037 /Caa-C