Run as: ionizer -i 2 -ph 7 -s ionizer_tiSHO_exclude.ini -i c_thio_pes_lp_corina.mae -l c_thio_pes_lp_corina_ionizer.log -b c_thio_pes_lp_corina_ionizer_bad.mae -o c_thio_pes_lp_corina_ionizer.mae

Ionizable group spec file used:
/raid4/people/joha/DB2/7_SUBS2SDF/ionizer_tiSHO_exclude.ini

Treating input CT 1 "ZINC00162948_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 1 "ZINC00162948_2_i001_c001"

Treating input CT 2 "ZINC02006361_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 2 "ZINC02006361_2_i001_c001"

Treating input CT 3 "ZINC02006361_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 3 "ZINC02006361_4_i001_c001"

Treating input CT 4 "ZINC02006361_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 4 "ZINC02006361_6_i001_c001"

Treating input CT 5 "ZINC01532120_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 5 "ZINC01532120_2_i001_c001"

Treating input CT 6 "ZINC01532120_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 6 "ZINC01532120_4_i001_c001"

Treating input CT 7 "ZINC02019745_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 7 "ZINC02019745_2_i001_c001"

Treating input CT 8 "ZINC01532120_6_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 8 "ZINC01532120_6_i001_c001"

Treating input CT 9 "ZINC01532120_8_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 "ZINC01532120_8_i001_c001"

Treating input CT 10 "ZINC02019745_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 10 "ZINC02019745_4_i001_c001"

Treating input CT 11 "ZINC02019745_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 11 "ZINC02019745_6_i001_c001"

Treating input CT 12 "ZINC02035982_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 12 "ZINC02035982_2_i001_c001"

Treating input CT 13 "ZINC02581881_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 13 "ZINC02581881_2_i001_c001"

Treating input CT 14 "ZINC02581881_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 14 "ZINC02581881_4_i001_c001"

Treating input CT 15 "ZINC02581881_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 17 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 15 "ZINC02581881_6_i001_c001"

Treating input CT 16 "ZINC01597520_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 16 "ZINC01597520_2_i001_c001"

Treating input CT 17 "ZINC01597520_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 17 "ZINC01597520_4_i001_c001"

Treating input CT 18 "ZINC01597520_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 18 "ZINC01597520_6_i001_c001"

Treating input CT 19 "ZINC01576335_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 19 "ZINC01576335_2_i001_c001"

Treating input CT 20 "ZINC01576335_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 20 "ZINC01576335_4_i001_c001"

Treating input CT 21 "ZINC01576335_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 21 "ZINC01576335_6_i001_c001"

Treating input CT 22 "ZINC01576335_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 22 "ZINC01576335_8_i001_c001"

Treating input CT 23 "ZINC01576335_10_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 23 "ZINC01576335_10_i001_c001"

Treating input CT 24 "ZINC01576335_12_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 24 "ZINC01576335_12_i001_c001"

Treating input CT 25 "ZINC03185661_2_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 "ZINC03185661_2_i001_c001"

Treating input CT 26 "ZINC03185661_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 26 "ZINC03185661_4_i001_c001"

Treating input CT 27 "ZINC03185661_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 27 "ZINC03185661_6_i001_c001"

Treating input CT 28 "ZINC01597504_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 28 "ZINC01597504_2_i001_c001"

Treating input CT 29 "ZINC01597504_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 29 "ZINC01597504_2_i001_c002"

Treating input CT 30 "ZINC01597504_2_i001_c003"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 30 "ZINC01597504_2_i001_c003"

Treating input CT 31 "ZINC01597504_2_i001_c004"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 31 "ZINC01597504_2_i001_c004"

Treating input CT 32 "ZINC01597504_2_i001_c005"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 32 "ZINC01597504_2_i001_c005"

Treating input CT 33 "ZINC01597504_2_i001_c006"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 33 "ZINC01597504_2_i001_c006"

Treating input CT 34 "ZINC01597504_2_i001_c007"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 34 "ZINC01597504_2_i001_c007"

Treating input CT 35 "ZINC01597504_2_i001_c008"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 35 "ZINC01597504_2_i001_c008"

Treating input CT 36 "ZINC01597504_2_i001_c009"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 36 "ZINC01597504_2_i001_c009"

Treating input CT 37 "ZINC01597504_2_i001_c010"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 37 "ZINC01597504_2_i001_c010"

Treating input CT 38 "ZINC01597504_2_i001_c011"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 38 "ZINC01597504_2_i001_c011"

Treating input CT 39 "ZINC01597504_2_i001_c012"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 39 "ZINC01597504_2_i001_c012"

Treating input CT 40 "ZINC01597504_2_i001_c013"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 40 "ZINC01597504_2_i001_c013"

Treating input CT 41 "ZINC01597504_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 41 "ZINC01597504_4_i001_c001"

Treating input CT 42 "ZINC01597504_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 42 "ZINC01597504_4_i001_c002"

Treating input CT 43 "ZINC01597504_4_i001_c003"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 43 "ZINC01597504_4_i001_c003"

Treating input CT 44 "ZINC01597504_4_i001_c004"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 44 "ZINC01597504_4_i001_c004"

Treating input CT 45 "ZINC01597504_4_i001_c005"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 45 "ZINC01597504_4_i001_c005"

Treating input CT 46 "ZINC01597504_4_i001_c006"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 46 "ZINC01597504_4_i001_c006"

Treating input CT 47 "ZINC01597504_4_i001_c007"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 47 "ZINC01597504_4_i001_c007"

Treating input CT 48 "ZINC01597504_4_i001_c008"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 48 "ZINC01597504_4_i001_c008"

Treating input CT 49 "ZINC01597504_4_i001_c009"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 49 "ZINC01597504_4_i001_c009"

Treating input CT 50 "ZINC01597504_4_i001_c010"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 50 "ZINC01597504_4_i001_c010"

Treating input CT 51 "ZINC01597504_4_i001_c011"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 51 "ZINC01597504_4_i001_c011"

Treating input CT 52 "ZINC01597504_4_i001_c012"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 52 "ZINC01597504_4_i001_c012"

Treating input CT 53 "ZINC01597504_4_i001_c013"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 53 "ZINC01597504_4_i001_c013"

Treating input CT 54 "ZINC01597504_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 54 "ZINC01597504_6_i001_c001"

Treating input CT 55 "ZINC01597504_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 55 "ZINC01597504_6_i001_c002"

Treating input CT 56 "ZINC01597504_6_i001_c003"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 56 "ZINC01597504_6_i001_c003"

Treating input CT 57 "ZINC01597504_6_i001_c004"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 57 "ZINC01597504_6_i001_c004"

Treating input CT 58 "ZINC01597504_6_i001_c005"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 58 "ZINC01597504_6_i001_c005"

Treating input CT 59 "ZINC01597504_6_i001_c006"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 59 "ZINC01597504_6_i001_c006"

Treating input CT 60 "ZINC01597504_6_i001_c007"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 60 "ZINC01597504_6_i001_c007"

Treating input CT 61 "ZINC01597504_6_i001_c008"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 61 "ZINC01597504_6_i001_c008"

Treating input CT 62 "ZINC01597504_6_i001_c009"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 62 "ZINC01597504_6_i001_c009"

Treating input CT 63 "ZINC01597504_6_i001_c010"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 63 "ZINC01597504_6_i001_c010"

Treating input CT 64 "ZINC01597504_6_i001_c011"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 64 "ZINC01597504_6_i001_c011"

Treating input CT 65 "ZINC01597504_6_i001_c012"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 65 "ZINC01597504_6_i001_c012"

Treating input CT 66 "ZINC01597504_6_i001_c013"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 66 "ZINC01597504_6_i001_c013"

Treating input CT 67 "ZINC01597504_6_i001_c014"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 67 "ZINC01597504_6_i001_c014"

Treating input CT 68 "ZINC01995283_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 68 "ZINC01995283_2_i001_c001"

Treating input CT 69 "ZINC02143707_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 69 "ZINC02143707_2_i001_c001"

Treating input CT 70 "ZINC02143707_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 70 "ZINC02143707_4_i001_c001"

Treating input CT 71 "ZINC00495332_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 71 "ZINC00495332_2_i001_c001"

Treating input CT 72 "ZINC00495332_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 72 "ZINC00495332_4_i001_c001"

Treating input CT 73 "ZINC00495332_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 73 "ZINC00495332_6_i001_c001"

Treating input CT 74 "ZINC02581904_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 74 "ZINC02581904_2_i001_c001"

Treating input CT 75 "ZINC02581904_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 75 "ZINC02581904_4_i001_c001"

Treating input CT 76 "ZINC02581904_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 20 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 76 "ZINC02581904_6_i001_c001"

Treating input CT 77 "ZINC02037010_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 77 "ZINC02037010_2_i001_c001"

Treating input CT 78 "ZINC02037010_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 78 "ZINC02037010_4_i001_c001"

Treating input CT 79 "ZINC02037010_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 16 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 79 "ZINC02037010_6_i001_c001"

Treating input CT 80 "ZINC02229586_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 80 "ZINC02229586_2_i001_c001"

Treating input CT 81 "ZINC02229586_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 81 "ZINC02229586_2_i001_c002"

Treating input CT 82 "ZINC02229586_2_i001_c003"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 82 "ZINC02229586_2_i001_c003"

Treating input CT 83 "ZINC02229586_2_i001_c004"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 83 "ZINC02229586_2_i001_c004"

Treating input CT 84 "ZINC02229586_2_i001_c005"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 84 "ZINC02229586_2_i001_c005"

Treating input CT 85 "ZINC02229586_2_i001_c006"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 85 "ZINC02229586_2_i001_c006"

Treating input CT 86 "ZINC02229586_2_i001_c007"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 86 "ZINC02229586_2_i001_c007"

Treating input CT 87 "ZINC02229586_2_i001_c008"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 87 "ZINC02229586_2_i001_c008"

Treating input CT 88 "ZINC02229586_2_i001_c009"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 88 "ZINC02229586_2_i001_c009"

Treating input CT 89 "ZINC02229586_2_i001_c010"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 89 "ZINC02229586_2_i001_c010"

Treating input CT 90 "ZINC02229586_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 90 "ZINC02229586_4_i001_c001"

Treating input CT 91 "ZINC02229586_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 91 "ZINC02229586_4_i001_c002"

Treating input CT 92 "ZINC02229586_4_i001_c003"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 92 "ZINC02229586_4_i001_c003"

Treating input CT 93 "ZINC02229586_4_i001_c004"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 93 "ZINC02229586_4_i001_c004"

Treating input CT 94 "ZINC02229586_4_i001_c005"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 94 "ZINC02229586_4_i001_c005"

Treating input CT 95 "ZINC02229586_4_i001_c006"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 95 "ZINC02229586_4_i001_c006"

Treating input CT 96 "ZINC02229586_4_i001_c007"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 96 "ZINC02229586_4_i001_c007"

Treating input CT 97 "ZINC02229586_4_i001_c008"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 97 "ZINC02229586_4_i001_c008"

Treating input CT 98 "ZINC02229586_4_i001_c009"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 98 "ZINC02229586_4_i001_c009"

Treating input CT 99 "ZINC02229586_4_i001_c010"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 99 "ZINC02229586_4_i001_c010"

Treating input CT 100 "ZINC02229586_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 100 "ZINC02229586_6_i001_c001"

Treating input CT 101 "ZINC02229586_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 101 "ZINC02229586_6_i001_c002"

Treating input CT 102 "ZINC02229586_6_i001_c003"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 102 "ZINC02229586_6_i001_c003"

Treating input CT 103 "ZINC02229586_6_i001_c004"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 103 "ZINC02229586_6_i001_c004"

Treating input CT 104 "ZINC02229586_6_i001_c005"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 104 "ZINC02229586_6_i001_c005"

Treating input CT 105 "ZINC02229586_6_i001_c006"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 105 "ZINC02229586_6_i001_c006"

Treating input CT 106 "ZINC02229586_6_i001_c007"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 106 "ZINC02229586_6_i001_c007"

Treating input CT 107 "ZINC02229586_6_i001_c008"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 107 "ZINC02229586_6_i001_c008"

Treating input CT 108 "ZINC02229586_6_i001_c009"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 108 "ZINC02229586_6_i001_c009"

Treating input CT 109 "ZINC02229586_6_i001_c010"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 109 "ZINC02229586_6_i001_c010"

Treating input CT 110 "ZINC02229586_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 110 "ZINC02229586_8_i001_c001"

Treating input CT 111 "ZINC02229586_8_i001_c002"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 111 "ZINC02229586_8_i001_c002"

Treating input CT 112 "ZINC02229586_8_i001_c003"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 112 "ZINC02229586_8_i001_c003"

Treating input CT 113 "ZINC02229586_8_i001_c004"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 113 "ZINC02229586_8_i001_c004"

Treating input CT 114 "ZINC02229586_8_i001_c005"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 114 "ZINC02229586_8_i001_c005"

Treating input CT 115 "ZINC02229586_8_i001_c006"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 115 "ZINC02229586_8_i001_c006"

Treating input CT 116 "ZINC02229586_8_i001_c007"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 116 "ZINC02229586_8_i001_c007"

Treating input CT 117 "ZINC02229586_8_i001_c008"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 117 "ZINC02229586_8_i001_c008"

Treating input CT 118 "ZINC02229586_8_i001_c009"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 118 "ZINC02229586_8_i001_c009"

Treating input CT 119 "ZINC02229586_8_i001_c010"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 119 "ZINC02229586_8_i001_c010"

Treating input CT 120 "ZINC02229586_10_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 120 "ZINC02229586_10_i001_c001"

Treating input CT 121 "ZINC02229586_10_i001_c002"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 121 "ZINC02229586_10_i001_c002"

Treating input CT 122 "ZINC02229586_10_i001_c003"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 122 "ZINC02229586_10_i001_c003"

Treating input CT 123 "ZINC02229586_10_i001_c004"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 123 "ZINC02229586_10_i001_c004"

Treating input CT 124 "ZINC02229586_10_i001_c005"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 124 "ZINC02229586_10_i001_c005"

Treating input CT 125 "ZINC02229586_10_i001_c006"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 125 "ZINC02229586_10_i001_c006"

Treating input CT 126 "ZINC02229586_10_i001_c007"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 126 "ZINC02229586_10_i001_c007"

Treating input CT 127 "ZINC02229586_10_i001_c008"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 127 "ZINC02229586_10_i001_c008"

Treating input CT 128 "ZINC02229586_10_i001_c009"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 128 "ZINC02229586_10_i001_c009"

Treating input CT 129 "ZINC02229586_10_i001_c010"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 129 "ZINC02229586_10_i001_c010"

Treating input CT 130 "ZINC02229586_12_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 130 "ZINC02229586_12_i001_c001"

Treating input CT 131 "ZINC02229586_12_i001_c002"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 131 "ZINC02229586_12_i001_c002"

Treating input CT 132 "ZINC02229586_12_i001_c003"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 132 "ZINC02229586_12_i001_c003"

Treating input CT 133 "ZINC02229586_12_i001_c004"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 133 "ZINC02229586_12_i001_c004"

Treating input CT 134 "ZINC02229586_12_i001_c005"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 134 "ZINC02229586_12_i001_c005"

Treating input CT 135 "ZINC02229586_12_i001_c006"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 135 "ZINC02229586_12_i001_c006"

Treating input CT 136 "ZINC02229586_12_i001_c007"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 136 "ZINC02229586_12_i001_c007"

Treating input CT 137 "ZINC02229586_12_i001_c008"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 137 "ZINC02229586_12_i001_c008"

Treating input CT 138 "ZINC02229586_12_i001_c009"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 138 "ZINC02229586_12_i001_c009"

Treating input CT 139 "ZINC02229586_12_i001_c010"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 139 "ZINC02229586_12_i001_c010"

Treating input CT 140 "ZINC02019332_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 140 "ZINC02019332_2_i001_c001"

Treating input CT 141 "ZINC02019332_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 141 "ZINC02019332_4_i001_c001"

Treating input CT 142 "ZINC01597505_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 142 "ZINC01597505_2_i001_c001"

Treating input CT 143 "ZINC01597505_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 143 "ZINC01597505_2_i001_c002"

Treating input CT 144 "ZINC01597505_2_i001_c003"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 144 "ZINC01597505_2_i001_c003"

Treating input CT 145 "ZINC01597505_2_i001_c004"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 145 "ZINC01597505_2_i001_c004"

Treating input CT 146 "ZINC01597505_2_i001_c005"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 146 "ZINC01597505_2_i001_c005"

Treating input CT 147 "ZINC01597505_2_i001_c006"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 147 "ZINC01597505_2_i001_c006"

Treating input CT 148 "ZINC01597505_2_i001_c007"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 148 "ZINC01597505_2_i001_c007"

Treating input CT 149 "ZINC01597505_2_i001_c008"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 149 "ZINC01597505_2_i001_c008"

Treating input CT 150 "ZINC01597505_2_i001_c009"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 150 "ZINC01597505_2_i001_c009"

Treating input CT 151 "ZINC01597505_2_i001_c010"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 151 "ZINC01597505_2_i001_c010"

Treating input CT 152 "ZINC01597505_2_i001_c011"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 152 "ZINC01597505_2_i001_c011"

Treating input CT 153 "ZINC01597505_2_i001_c012"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 153 "ZINC01597505_2_i001_c012"

Treating input CT 154 "ZINC01597505_2_i001_c013"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 154 "ZINC01597505_2_i001_c013"

Treating input CT 155 "ZINC01597505_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 155 "ZINC01597505_4_i001_c001"

Treating input CT 156 "ZINC01597505_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 156 "ZINC01597505_4_i001_c002"

Treating input CT 157 "ZINC01597505_4_i001_c003"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 157 "ZINC01597505_4_i001_c003"

Treating input CT 158 "ZINC01597505_4_i001_c004"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 158 "ZINC01597505_4_i001_c004"

Treating input CT 159 "ZINC01597505_4_i001_c005"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 159 "ZINC01597505_4_i001_c005"

Treating input CT 160 "ZINC01597505_4_i001_c006"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 160 "ZINC01597505_4_i001_c006"

Treating input CT 161 "ZINC01597505_4_i001_c007"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 161 "ZINC01597505_4_i001_c007"

Treating input CT 162 "ZINC01597505_4_i001_c008"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 162 "ZINC01597505_4_i001_c008"

Treating input CT 163 "ZINC01597505_4_i001_c009"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 163 "ZINC01597505_4_i001_c009"

Treating input CT 164 "ZINC01597505_4_i001_c010"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 164 "ZINC01597505_4_i001_c010"

Treating input CT 165 "ZINC01597505_4_i001_c011"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 165 "ZINC01597505_4_i001_c011"

Treating input CT 166 "ZINC01597505_4_i001_c012"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 166 "ZINC01597505_4_i001_c012"

Treating input CT 167 "ZINC01597505_4_i001_c013"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 167 "ZINC01597505_4_i001_c013"

Treating input CT 168 "ZINC02524740_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 13 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 168 "ZINC02524740_2_i001_c001"

Treating input CT 169 "ZINC01597505_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 169 "ZINC01597505_6_i001_c001"

Treating input CT 170 "ZINC01597505_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 170 "ZINC01597505_6_i001_c002"

Treating input CT 171 "ZINC01597505_6_i001_c003"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 171 "ZINC01597505_6_i001_c003"

Treating input CT 172 "ZINC01597505_6_i001_c004"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 172 "ZINC01597505_6_i001_c004"

Treating input CT 173 "ZINC01597505_6_i001_c005"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 173 "ZINC01597505_6_i001_c005"

Treating input CT 174 "ZINC01597505_6_i001_c006"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 174 "ZINC01597505_6_i001_c006"

Treating input CT 175 "ZINC01597505_6_i001_c007"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 175 "ZINC01597505_6_i001_c007"

Treating input CT 176 "ZINC01597505_6_i001_c008"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 176 "ZINC01597505_6_i001_c008"

Treating input CT 177 "ZINC01597505_6_i001_c009"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 177 "ZINC01597505_6_i001_c009"

Treating input CT 178 "ZINC01597505_6_i001_c010"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 178 "ZINC01597505_6_i001_c010"

Treating input CT 179 "ZINC01597505_6_i001_c011"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 179 "ZINC01597505_6_i001_c011"

Treating input CT 180 "ZINC01597505_6_i001_c012"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 180 "ZINC01597505_6_i001_c012"

Treating input CT 181 "ZINC01597505_6_i001_c013"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 181 "ZINC01597505_6_i001_c013"

Treating input CT 182 "ZINC01597505_6_i001_c014"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 182 "ZINC01597505_6_i001_c014"

Treating input CT 183 "ZINC03106368_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 183 "ZINC03106368_2_i001_c001"

Treating input CT 184 "ZINC02150083_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 184 "ZINC02150083_2_i001_c001"

Treating input CT 185 "ZINC01597518_2_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 185 "ZINC01597518_2_i001_c001"

Treating input CT 186 "ZINC01597518_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 186 "ZINC01597518_4_i001_c001"

Treating input CT 187 "ZINC01597518_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 187 "ZINC01597518_6_i001_c001"

Treating input CT 188 "ZINC02561303_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 188 "ZINC02561303_2_i001_c001"

Treating input CT 189 "ZINC02561303_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 189 "ZINC02561303_4_i001_c001"

Treating input CT 190 "ZINC02561303_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 190 "ZINC02561303_6_i001_c001"

Treating input CT 191 "ZINC02027006_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 25 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 191 "ZINC02027006_2_i001_c001"

Treating input CT 192 "ZINC02027006_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 192 "ZINC02027006_4_i001_c001"

Treating input CT 193 "ZINC02027006_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 193 "ZINC02027006_6_i001_c001"

Treating input CT 194 "ZINC02018991_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 13 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 194 "ZINC02018991_2_i001_c001"

Treating input CT 195 "ZINC02018991_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 195 "ZINC02018991_4_i001_c001"

Treating input CT 196 "ZINC02018991_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 196 "ZINC02018991_6_i001_c001"

Treating input CT 197 "ZINC01641028_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 197 "ZINC01641028_2_i001_c001"

Treating input CT 198 "ZINC02524740_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 198 "ZINC02524740_4_i001_c001"

Treating input CT 199 "ZINC02524740_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 199 "ZINC02524740_6_i001_c001"

Treating input CT 200 "ZINC01603178_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 200 "ZINC01603178_2_i001_c001"

Treating input CT 201 "ZINC01603178_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 201 "ZINC01603178_4_i001_c001"

Treating input CT 202 "ZINC01737425_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 9 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 202 "ZINC01737425_2_i001_c001"

Treating input CT 203 "ZINC01737425_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 9 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 203 "ZINC01737425_4_i001_c001"

Treating input CT 204 "ZINC01737425_6_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 204 "ZINC01737425_6_i001_c001"

Treating input CT 205 "ZINC01603178_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 205 "ZINC01603178_6_i001_c001"

Treating input CT 206 "ZINC01603178_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 206 "ZINC01603178_8_i001_c001"

Treating input CT 207 "ZINC00537862_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 207 "ZINC00537862_2_i001_c001"

Treating input CT 208 "ZINC00537862_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 208 "ZINC00537862_4_i001_c001"

Treating input CT 209 "ZINC00537862_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 209 "ZINC00537862_6_i001_c001"

Treating input CT 210 "ZINC02015907_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 210 "ZINC02015907_2_i001_c001"

Treating input CT 211 "ZINC02015907_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 211 "ZINC02015907_4_i001_c001"

Treating input CT 212 "ZINC02015907_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 212 "ZINC02015907_6_i001_c001"

Treating input CT 213 "ZINC02039716_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 213 "ZINC02039716_2_i001_c001"

Treating input CT 214 "ZINC02039716_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 214 "ZINC02039716_4_i001_c001"

Treating input CT 215 "ZINC02039716_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 215 "ZINC02039716_6_i001_c001"

Treating input CT 216 "ZINC01995208_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 216 "ZINC01995208_2_i001_c001"

Treating input CT 217 "ZINC01995208_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 217 "ZINC01995208_4_i001_c001"

Treating input CT 218 "ZINC01995208_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 17 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 218 "ZINC01995208_6_i001_c001"

Treating input CT 219 "ZINC02034696_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 219 "ZINC02034696_2_i001_c001"

Treating input CT 220 "ZINC02034696_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 220 "ZINC02034696_2_i001_c002"

Treating input CT 221 "ZINC02034696_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 221 "ZINC02034696_4_i001_c001"

Treating input CT 222 "ZINC02034696_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 222 "ZINC02034696_4_i001_c002"

Treating input CT 223 "ZINC02034696_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 20 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 223 "ZINC02034696_6_i001_c001"

Treating input CT 224 "ZINC02034696_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 20 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 224 "ZINC02034696_6_i001_c002"

Treating input CT 225 "ZINC00535274_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 225 "ZINC00535274_2_i001_c001"

Treating input CT 226 "ZINC00535274_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 226 "ZINC00535274_2_i001_c002"

Treating input CT 227 "ZINC00535274_2_i001_c003"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 227 "ZINC00535274_2_i001_c003"

Treating input CT 228 "ZINC00535274_2_i001_c004"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 228 "ZINC00535274_2_i001_c004"

Treating input CT 229 "ZINC00535274_2_i001_c005"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 229 "ZINC00535274_2_i001_c005"

Treating input CT 230 "ZINC00535274_2_i001_c006"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 230 "ZINC00535274_2_i001_c006"

Treating input CT 231 "ZINC00535274_2_i001_c007"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 231 "ZINC00535274_2_i001_c007"

Treating input CT 232 "ZINC00535274_2_i001_c008"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 232 "ZINC00535274_2_i001_c008"

Treating input CT 233 "ZINC00535274_2_i001_c009"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 233 "ZINC00535274_2_i001_c009"

Treating input CT 234 "ZINC00535274_2_i001_c010"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 234 "ZINC00535274_2_i001_c010"

Treating input CT 235 "ZINC00535274_2_i001_c011"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 235 "ZINC00535274_2_i001_c011"

Treating input CT 236 "ZINC00535274_2_i001_c012"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 236 "ZINC00535274_2_i001_c012"

Treating input CT 237 "ZINC00535274_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 237 "ZINC00535274_4_i001_c001"

Treating input CT 238 "ZINC00535274_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 238 "ZINC00535274_4_i001_c002"

Treating input CT 239 "ZINC00535274_4_i001_c003"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 239 "ZINC00535274_4_i001_c003"

Treating input CT 240 "ZINC00535274_4_i001_c004"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 240 "ZINC00535274_4_i001_c004"

Treating input CT 241 "ZINC00535274_4_i001_c005"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 241 "ZINC00535274_4_i001_c005"

Treating input CT 242 "ZINC00535274_4_i001_c006"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 242 "ZINC00535274_4_i001_c006"

Treating input CT 243 "ZINC00535274_4_i001_c007"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 243 "ZINC00535274_4_i001_c007"

Treating input CT 244 "ZINC00535274_4_i001_c008"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 244 "ZINC00535274_4_i001_c008"

Treating input CT 245 "ZINC00535274_4_i001_c009"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 245 "ZINC00535274_4_i001_c009"

Treating input CT 246 "ZINC00535274_4_i001_c010"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 246 "ZINC00535274_4_i001_c010"

Treating input CT 247 "ZINC00535274_4_i001_c011"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 247 "ZINC00535274_4_i001_c011"

Treating input CT 248 "ZINC00535274_4_i001_c012"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 248 "ZINC00535274_4_i001_c012"

Treating input CT 249 "ZINC00535274_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 249 "ZINC00535274_6_i001_c001"

Treating input CT 250 "ZINC00535274_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 250 "ZINC00535274_6_i001_c002"

Treating input CT 251 "ZINC00535274_6_i001_c003"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 251 "ZINC00535274_6_i001_c003"

Treating input CT 252 "ZINC00535274_6_i001_c004"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 252 "ZINC00535274_6_i001_c004"

Treating input CT 253 "ZINC00535274_6_i001_c005"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 253 "ZINC00535274_6_i001_c005"

Treating input CT 254 "ZINC00535274_6_i001_c006"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 254 "ZINC00535274_6_i001_c006"

Treating input CT 255 "ZINC00535274_6_i001_c007"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 255 "ZINC00535274_6_i001_c007"

Treating input CT 256 "ZINC00535274_6_i001_c008"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 256 "ZINC00535274_6_i001_c008"

Treating input CT 257 "ZINC00535274_6_i001_c009"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 257 "ZINC00535274_6_i001_c009"

Treating input CT 258 "ZINC00535274_6_i001_c010"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 258 "ZINC00535274_6_i001_c010"

Treating input CT 259 "ZINC00535274_6_i001_c011"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 259 "ZINC00535274_6_i001_c011"

Treating input CT 260 "ZINC00535274_6_i001_c012"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 260 "ZINC00535274_6_i001_c012"

Treating input CT 261 "ZINC02009948_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 261 "ZINC02009948_2_i001_c001"

Treating input CT 262 "ZINC02009948_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 262 "ZINC02009948_4_i001_c001"

Treating input CT 263 "ZINC00225809_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 263 "ZINC00225809_2_i001_c001"

Treating input CT 264 "ZINC00225809_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 264 "ZINC00225809_4_i001_c001"

Treating input CT 265 "ZINC02037102_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 265 "ZINC02037102_2_i001_c001"

Treating input CT 266 "ZINC02037102_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 266 "ZINC02037102_4_i001_c001"

Treating input CT 267 "ZINC02037102_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 267 "ZINC02037102_6_i001_c001"

Treating input CT 268 "ZINC00225809_6_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 268 "ZINC00225809_6_i001_c001"

Treating input CT 269 "ZINC02158884_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 269 "ZINC02158884_2_i001_c001"

Treating input CT 270 "ZINC02158884_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 270 "ZINC02158884_4_i001_c001"

Treating input CT 271 "ZINC02158884_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 23 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 271 "ZINC02158884_6_i001_c001"

Treating input CT 272 "ZINC02388210_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 272 "ZINC02388210_2_i001_c001"

Treating input CT 273 "ZINC02388210_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 273 "ZINC02388210_4_i001_c001"

Treating input CT 274 "ZINC01606556_2_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 274 "ZINC01606556_2_i001_c001"

Treating input CT 275 "ZINC02016457_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 275 "ZINC02016457_2_i001_c001"

Treating input CT 276 "ZINC02016457_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 276 "ZINC02016457_4_i001_c001"

Treating input CT 277 "ZINC01016427_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 277 "ZINC01016427_2_i001_c001"

Treating input CT 278 "ZINC01016427_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 278 "ZINC01016427_4_i001_c001"

Treating input CT 279 "ZINC01606515_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 279 "ZINC01606515_2_i001_c001"

Treating input CT 280 "ZINC01606515_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 280 "ZINC01606515_4_i001_c001"

Treating input CT 281 "ZINC01606515_6_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 281 "ZINC01606515_6_i001_c001"

Treating input CT 282 "ZINC01016427_6_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 282 "ZINC01016427_6_i001_c001"

Treating input CT 283 "ZINC01016427_8_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 283 "ZINC01016427_8_i001_c001"

Treating input CT 284 "ZINC02011556_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 17 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 284 "ZINC02011556_2_i001_c001"

Treating input CT 285 "ZINC02011556_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 285 "ZINC02011556_4_i001_c001"

Treating input CT 286 "ZINC02011556_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 286 "ZINC02011556_6_i001_c001"

Treating input CT 287 "ZINC02388210_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 21 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 287 "ZINC02388210_6_i001_c001"

Treating input CT 288 "ZINC00159909_2_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 288 "ZINC00159909_2_i001_c001"

Treating input CT 289 "ZINC00159909_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 289 "ZINC00159909_4_i001_c001"

Treating input CT 290 "ZINC00159909_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 290 "ZINC00159909_6_i001_c001"

Treating input CT 291 "ZINC01853868_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 291 "ZINC01853868_2_i001_c001"

Treating input CT 292 "ZINC01853868_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 292 "ZINC01853868_4_i001_c001"

Treating input CT 293 "ZINC01853868_6_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 293 "ZINC01853868_6_i001_c001"

Treating input CT 294 "ZINC01853868_8_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 294 "ZINC01853868_8_i001_c001"

Treating input CT 295 "ZINC01853868_10_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 295 "ZINC01853868_10_i001_c001"

Treating input CT 296 "ZINC01853868_12_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 296 "ZINC01853868_12_i001_c001"

Treating input CT 297 "ZINC02015906_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 297 "ZINC02015906_2_i001_c001"

Treating input CT 298 "ZINC02015906_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 298 "ZINC02015906_4_i001_c001"

Treating input CT 299 "ZINC02015906_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 299 "ZINC02015906_6_i001_c001"

Treating input CT 300 "ZINC00001434_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 300 "ZINC00001434_2_i001_c001"

Treating input CT 301 "ZINC01597514_2_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 301 "ZINC01597514_2_i001_c001"

Treating input CT 302 "ZINC01597514_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 302 "ZINC01597514_4_i001_c001"

Treating input CT 303 "ZINC01597514_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 303 "ZINC01597514_6_i001_c001"

Treating input CT 304 "ZINC02016458_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 304 "ZINC02016458_2_i001_c001"

Treating input CT 305 "ZINC02149221_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 305 "ZINC02149221_2_i001_c001"

Treating input CT 306 "ZINC02149221_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 306 "ZINC02149221_4_i001_c001"

Treating input CT 307 "ZINC02149221_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 18 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 307 "ZINC02149221_6_i001_c001"

Treating input CT 308 "ZINC02016458_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 308 "ZINC02016458_4_i001_c001"

Treating input CT 309 "ZINC02016458_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 309 "ZINC02016458_6_i001_c001"

Treating input CT 310 "ZINC02019331_2_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 310 "ZINC02019331_2_i001_c001"

Treating input CT 311 "ZINC02019331_4_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 311 "ZINC02019331_4_i001_c001"

Treating input CT 312 "ZINC01996024_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 312 "ZINC01996024_2_i001_c001"

Treating input CT 313 "ZINC01996024_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 313 "ZINC01996024_4_i001_c001"

Treating input CT 314 "ZINC02565079_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 314 "ZINC02565079_2_i001_c001"

Treating input CT 315 "ZINC02565079_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 315 "ZINC02565079_4_i001_c001"

Treating input CT 316 "ZINC02565079_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 16 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 316 "ZINC02565079_6_i001_c001"

Treating input CT 317 "ZINC02555975_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 317 "ZINC02555975_2_i001_c001"

Treating input CT 318 "ZINC02555975_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 318 "ZINC02555975_4_i001_c001"

Treating input CT 319 "ZINC02555975_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 319 "ZINC02555975_6_i001_c001"

Treating input CT 320 "ZINC01589253_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 320 "ZINC01589253_2_i001_c001"

Treating input CT 321 "ZINC01589253_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 321 "ZINC01589253_4_i001_c001"

Treating input CT 322 "ZINC01589253_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 10 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 322 "ZINC01589253_6_i001_c001"

Treating input CT 323 "ZINC01606997_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 323 "ZINC01606997_2_i001_c001"

Treating input CT 324 "ZINC01606997_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 324 "ZINC01606997_4_i001_c001"

Treating input CT 325 "ZINC01606997_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 325 "ZINC01606997_6_i001_c001"

Treating input CT 326 "ZINC02382765_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 326 "ZINC02382765_2_i001_c001"

Treating input CT 327 "ZINC02382765_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 327 "ZINC02382765_4_i001_c001"

Treating input CT 328 "ZINC02581906_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 328 "ZINC02581906_2_i001_c001"

Treating input CT 329 "ZINC02581906_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 329 "ZINC02581906_4_i001_c001"

Treating input CT 330 "ZINC02581906_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 19 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 330 "ZINC02581906_6_i001_c001"

Treating input CT 331 "ZINC01532123_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 331 "ZINC01532123_2_i001_c001"

Treating input CT 332 "ZINC01532123_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 332 "ZINC01532123_4_i001_c001"

Treating input CT 333 "ZINC01532123_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 333 "ZINC01532123_6_i001_c001"

Treating input CT 334 "ZINC01532123_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 334 "ZINC01532123_8_i001_c001"

Treating input CT 335 "ZINC01532123_10_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 335 "ZINC01532123_10_i001_c001"

Treating input CT 336 "ZINC01532123_12_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 336 "ZINC01532123_12_i001_c001"

Treating input CT 337 "ZINC01600092_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 337 "ZINC01600092_2_i001_c001"

Treating input CT 338 "ZINC01621033_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 338 "ZINC01621033_2_i001_c001"

Treating input CT 339 "ZINC01600092_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 339 "ZINC01600092_4_i001_c001"

Treating input CT 340 "ZINC01600092_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 8 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 340 "ZINC01600092_6_i001_c001"

Treating input CT 341 "ZINC02516839_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 341 "ZINC02516839_2_i001_c001"

Treating input CT 342 "ZINC02516839_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 342 "ZINC02516839_4_i001_c001"

Treating input CT 343 "ZINC02516839_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 343 "ZINC02516839_6_i001_c001"

Treating input CT 344 "ZINC01600093_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 344 "ZINC01600093_2_i001_c001"

Treating input CT 345 "ZINC02565046_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 16 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 345 "ZINC02565046_2_i001_c001"

Treating input CT 346 "ZINC03156938_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 346 "ZINC03156938_2_i001_c001"

Treating input CT 347 "ZINC03156938_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 347 "ZINC03156938_4_i001_c001"

Treating input CT 348 "ZINC03156938_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 16 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 348 "ZINC03156938_6_i001_c001"

Treating input CT 349 "ZINC02565046_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 349 "ZINC02565046_4_i001_c001"

Treating input CT 350 "ZINC02565046_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 350 "ZINC02565046_6_i001_c001"

Treating input CT 351 "ZINC02007598_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 351 "ZINC02007598_2_i001_c001"

Treating input CT 352 "ZINC02007598_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 11 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 352 "ZINC02007598_4_i001_c001"

Treating input CT 353 "ZINC02019332_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 353 "ZINC02019332_6_i001_c001"

Treating input CT 354 "ZINC02019332_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 15 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 354 "ZINC02019332_8_i001_c001"

Treating input CT 355 "ZINC02019332_10_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 355 "ZINC02019332_10_i001_c001"

Treating input CT 356 "ZINC02019332_12_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 356 "ZINC02019332_12_i001_c001"

Treating input CT 357 "ZINC02007598_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 357 "ZINC02007598_6_i001_c001"

Treating input CT 358 "ZINC01532122_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 358 "ZINC01532122_2_i001_c001"

Treating input CT 359 "ZINC01532122_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 12 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 359 "ZINC01532122_4_i001_c001"

Treating input CT 360 "ZINC01532122_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 360 "ZINC01532122_6_i001_c001"

Treating input CT 361 "ZINC01532122_8_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 361 "ZINC01532122_8_i001_c001"

Treating input CT 362 "ZINC01532122_10_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 362 "ZINC01532122_10_i001_c001"

Treating input CT 363 "ZINC01532122_12_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 363 "ZINC01532122_12_i001_c001"

Treating input CT 364 "ZINC01648512_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 23 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 364 "ZINC01648512_2_i001_c001"

Treating input CT 365 "ZINC01648512_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 23 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 365 "ZINC01648512_2_i001_c002"

Treating input CT 366 "ZINC03164784_2_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 366 "ZINC03164784_2_i001_c001"

Treating input CT 367 "ZINC03164784_2_i001_c002"
  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 367 "ZINC03164784_2_i001_c002"

Treating input CT 368 "ZINC03164784_2_i001_c003"
  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 368 "ZINC03164784_2_i001_c003"

Treating input CT 369 "ZINC03164784_2_i001_c004"
  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 369 "ZINC03164784_2_i001_c004"

Treating input CT 370 "ZINC03164784_2_i001_c005"
  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 370 "ZINC03164784_2_i001_c005"

Treating input CT 371 "ZINC03164784_2_i001_c006"
  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 371 "ZINC03164784_2_i001_c006"

Treating input CT 372 "ZINC03164784_2_i001_c007"
  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 372 "ZINC03164784_2_i001_c007"

Treating input CT 373 "ZINC03164784_2_i001_c008"
  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 373 "ZINC03164784_2_i001_c008"

Treating input CT 374 "ZINC02391337_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 374 "ZINC02391337_2_i001_c001"

Treating input CT 375 "ZINC02391337_2_i001_c002"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 375 "ZINC02391337_2_i001_c002"

Treating input CT 376 "ZINC02391337_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 376 "ZINC02391337_4_i001_c001"

Treating input CT 377 "ZINC02391337_4_i001_c002"
FATAL treat_one_ct(): Ion center atom 6 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 377 "ZINC02391337_4_i001_c002"

Treating input CT 378 "ZINC02391337_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 13 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 378 "ZINC02391337_6_i001_c001"

Treating input CT 379 "ZINC02391337_6_i001_c002"
FATAL treat_one_ct(): Ion center atom 13 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 379 "ZINC02391337_6_i001_c002"

Treating input CT 380 "ZINC01016427_10_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 380 "ZINC01016427_10_i001_c001"

Treating input CT 381 "ZINC01016427_12_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 381 "ZINC01016427_12_i001_c001"

Treating input CT 382 "ZINC02015797_2_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 382 "ZINC02015797_2_i001_c001"

Treating input CT 383 "ZINC02015797_4_i001_c001"
FATAL treat_one_ct(): Ion center atom 7 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over
*** Passed on input CT to normal output file
*** Expanded to 1 output CT (tolerating error)
*** Skip past input CT 383 "ZINC02015797_4_i001_c001"

Treating input CT 384 "ZINC02015797_6_i001_c001"
FATAL treat_one_ct(): Ion center atom 14 is not neutral

*** Ion center atom is not properly neutralized
*** This type of problem can be skipped over