Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini -i g_cw_ln_corina.mae -l g_cw_ln_corina_ionizer.log -b g_cw_ln_corina_ionizer_bad.mae -o g_cw_ln_corina_ionizer.mae

Ionizable group spec file used:
/raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini

Treating input CT 1 "Sarin_1_Rp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 1 "Sarin_1_Rp_i001_c001"

Treating input CT 2 "Sarin_3_Sp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 2 "Sarin_3_Sp_i001_c001"

Treating input CT 3 "Sarin_5_Rp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 3 "Sarin_5_Rp_i001_c001"

Treating input CT 4 "Sarin_7_Sp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 4 "Sarin_7_Sp_i001_c001"

Treating input CT 5 "Soman-analog_1_SpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 5 "Soman-analog_1_SpRc_i001_c001"

Treating input CT 6 "Soman-analog_1_SpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 6 "Soman-analog_1_SpSc_i002_c001"

Treating input CT 7 "Soman-analog_3_RpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 7 "Soman-analog_3_RpRc_i001_c001"

Treating input CT 8 "Soman-analog_3_RpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 8 "Soman-analog_3_RpSc_i002_c001"

Treating input CT 9 "Tabun_1_Sp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 9 "Tabun_1_Sp_i001_c001"

Treating input CT 10 "Tabun_3_Rp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 10 "Tabun_3_Rp_i001_c001"

Treating input CT 11 "Soman-analog_5_SpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 11 "Soman-analog_5_SpRc_i001_c001"

Treating input CT 12 "Soman-analog_5_SpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 12 "Soman-analog_5_SpSc_i002_c001"

Treating input CT 13 "Soman-analog_7_RpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 13 "Soman-analog_7_RpRc_i001_c001"

Treating input CT 14 "Soman-analog_7_RpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 14 "Soman-analog_7_RpSc_i002_c001"

Treating input CT 15 "VX_1_Sp_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 15 "VX_1_Sp_i001_c001"

Treating input CT 16 "VX_3_Rp_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 16 "VX_3_Rp_i001_c001"

Treating input CT 17 "Tabun_5_Sp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 17 "Tabun_5_Sp_i001_c001"

Treating input CT 18 "Tabun_7_Rp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 18 "Tabun_7_Rp_i001_c001"

Treating input CT 19 "Tabun_9_Sp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 19 "Tabun_9_Sp_i001_c001"

Treating input CT 20 "Tabun_11_Rp_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 20 "Tabun_11_Rp_i001_c001"

Treating input CT 21 "VX_5_Sp_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 21 "VX_5_Sp_i001_c001"

Treating input CT 22 "VX_7_Rp_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 22 "VX_7_Rp_i001_c001"

Treating input CT 23 "Soman_1_RpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 23 "Soman_1_RpRc_i001_c001"

Treating input CT 24 "Soman_1_RpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 24 "Soman_1_RpSc_i002_c001"

Treating input CT 25 "Soman_3_SpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 25 "Soman_3_SpRc_i001_c001"

Treating input CT 26 "Soman_3_SpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 26 "Soman_3_SpSc_i002_c001"

Treating input CT 27 "Soman_5_RpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 27 "Soman_5_RpRc_i001_c001"

Treating input CT 28 "Soman_5_RpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 28 "Soman_5_RpSc_i002_c001"

Treating input CT 29 "Soman_7_SpRc_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 29 "Soman_7_SpRc_i001_c001"

Treating input CT 30 "Soman_7_SpSc_i002_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 30 "Soman_7_SpSc_i002_c001"

Input structures treated: 30
Output structures written: 30
Size of output file "g_cw_ln_corina_ionizer.mae" is 248116 bytes
Bad input structures skipped over: 0