 RESP-A1A project. RESP input generated by R.E.D.
 &cntrl
  ioutopt=1, iqopt=2, nmol=120, ihfree=1, irstrnt=1, qwt=0.001
 &end 
  1.0
 PNA-Adenine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Adenine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Adenine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Adenine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Adenine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    6   -1                     35
    7   -1                     36
    6   -1                     37
    1   -1                     38
    7   -1                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Cytosine-residue 
    0   43          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Cytosine-residue 
    0   43          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Cytosine-residue 
    0   43          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6   -1                     40
    1   -1                     41
    1   -1                     42
    1   -1                     43

  1.0
 PNA-Cytosine-residue 
    0   43          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6    0                     40
    1    0                     41
    1   41                     42
    1   41                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6    0                     40
    1    0                     41
    1   41                     42
    1   41                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6    0                     40
    1    0                     41
    1   41                     42
    1   41                     43

  1.0
 PNA-Cytosine-residue 
    0   43
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    6   -1                     30
    7   -1                     31
    1   -1                     32
    1   -1                     33
    6   -1                     34
    1   -1                     35
    6   -1                     36
    1   -1                     37
    7   -1                     38
    1   -1                     39
    6    0                     40
    1    0                     41
    1   41                     42
    1   41                     43

  1.0
 PNA-Guanine-residue 
    0   46          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Guanine-residue 
    0   46          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Guanine-residue 
    0   46          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6   -1                     43
    1   -1                     44
    1   -1                     45
    1   -1                     46

  1.0
 PNA-Guanine-residue 
    0   46          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6    0                     43
    1    0                     44
    1   44                     45
    1   44                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6    0                     43
    1    0                     44
    1   44                     45
    1   44                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6    0                     43
    1    0                     44
    1   44                     45
    1   44                     46

  1.0
 PNA-Guanine-residue 
    0   46
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    7   -1                     36
    1   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    7   -1                     41
    1   -1                     42
    6    0                     43
    1    0                     44
    1   44                     45
    1   44                     46

  1.0
 PNA-Hypoxanthine-residue 
    0   44          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Hypoxanthine-residue 
    0   44          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Hypoxanthine-residue 
    0   44          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6   -1                     41
    1   -1                     42
    1   -1                     43
    1   -1                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6    0                     41
    1    0                     42
    1   42                     43
    1   42                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6    0                     41
    1    0                     42
    1   42                     43
    1   42                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6    0                     41
    1    0                     42
    1   42                     43
    1   42                     44

  1.0
 PNA-Hypoxanthine-residue 
    0   44
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    1   -1                     28
    7   -1                     29
    6   -1                     30
    8   -1                     31
    6   -1                     32
    6   -1                     33
    7   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    7   -1                     39
    1   -1                     40
    6    0                     41
    1    0                     42
    1   42                     43
    1   42                     44

  1.0
 PNA-Thymine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Thymine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Thymine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6   -1                     42
    1   -1                     43
    1   -1                     44
    1   -1                     45

  1.0
 PNA-Thymine-residue 
    0   45          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Thymine-residue 
    0   45
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    6   -1                     34
    1   -1                     35
    6    0                     36
    1    0                     37
    1   37                     38
    1   37                     39
    7   -1                     40
    1   -1                     41
    6    0                     42
    1    0                     43
    1   43                     44
    1   43                     45

  1.0
 PNA-Uracil-residue 
    0   42          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 Methylammonium 
    1    8          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 Methylammonium 
    1    8
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    7   -1                      5
    1   -1                      6
    1   -1                      7
    1   -1                      8

  1.0
 PNA-Uracil-residue 
    0   42          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 Acetate 
   -1    7          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 Acetate 
   -1    7
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    8   -1                      7

  1.0
 PNA-Uracil-residue 
    0   42          Column not used by RESP (Added by R.E.D. for information)
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6   -1                      1
    1   -1                      2
    1   -1                      3
    1   -1                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6   -1                     39
    1   -1                     40
    1   -1                     41
    1   -1                     42

  1.0
 PNA-Uracil-residue 
    0   42          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6    0                     39
    1    0                     40
    1   40                     41
    1   40                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6    0                     39
    1    0                     40
    1   40                     41
    1   40                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6    0                     39
    1    0                     40
    1   40                     41
    1   40                     42

  1.0
 PNA-Uracil-residue 
    0   42
    6    0                      1
    1    0                      2
    1    2                      3
    1    2                      4
    6   -1                      5
    8   -1                      6
    7   -1                      7
    1   -1                      8
    6    0                      9
    1    0                     10
    1   10                     11
    6    0                     12
    1    0                     13
    1   13                     14
    7   -1                     15
    6    0                     16
    1    0                     17
    1   17                     18
    6   -1                     19
    8   -1                     20
    6   -1                     21
    8   -1                     22
    6    0                     23
    1    0                     24
    1   24                     25
    7   -1                     26
    6   -1                     27
    8   -1                     28
    7   -1                     29
    1   -1                     30
    6   -1                     31
    8   -1                     32
    6   -1                     33
    1   -1                     34
    6   -1                     35
    1   -1                     36
    7   -1                     37
    1   -1                     38
    6    0                     39
    1    0                     40
    1   40                     41
    1   40                     42

                    Inter-'molecular' charge equivalencing (i. e. for different orientations or conformations)
    4
    1    9    2    9    3    9    4    9
    4
    1   10    2   10    3   10    4   10
    4
    1   12    2   12    3   12    4   12
    4
    1   13    2   13    3   13    4   13
    4
    1   16    2   16    3   16    4   16
    4
    1   17    2   17    3   17    4   17
    4
    1   23    2   23    3   23    4   23
    4
    1   24    2   24    3   24    4   24
    4
    7    9    8    9    9    9   10    9
    4
    7   10    8   10    9   10   10   10
    4
    7   12    8   12    9   12   10   12
    4
    7   13    8   13    9   13   10   13
    4
    7   16    8   16    9   16   10   16
    4
    7   17    8   17    9   17   10   17
    4
    7   23    8   23    9   23   10   23
    4
    7   24    8   24    9   24   10   24
    4
   13    9   14    9   15    9   16    9
    4
   13   10   14   10   15   10   16   10
    4
   13   12   14   12   15   12   16   12
    4
   13   13   14   13   15   13   16   13
    4
   13   16   14   16   15   16   16   16
    4
   13   17   14   17   15   17   16   17
    4
   13   23   14   23   15   23   16   23
    4
   13   24   14   24   15   24   16   24
    4
   17    1   18    1   19    1   20    1
    4
   17    2   18    2   19    2   20    2
    4
   17    9   18    9   19    9   20    9
    4
   17   10   18   10   19   10   20   10
    4
   17   12   18   12   19   12   20   12
    4
   17   13   18   13   19   13   20   13
    4
   17   16   18   16   19   16   20   16
    4
   17   17   18   17   19   17   20   17
    4
   17   23   18   23   19   23   20   23
    4
   17   24   18   24   19   24   20   24
    4
   17   42   18   42   19   42   20   42
    4
   17   43   18   43   19   43   20   43
    4
   21    9   22    9   23    9   24    9
    4
   21   10   22   10   23   10   24   10
    4
   21   12   22   12   23   12   24   12
    4
   21   13   22   13   23   13   24   13
    4
   21   16   22   16   23   16   24   16
    4
   21   17   22   17   23   17   24   17
    4
   21   23   22   23   23   23   24   23
    4
   21   24   22   24   23   24   24   24
    4
   27    9   28    9   29    9   30    9
    4
   27   10   28   10   29   10   30   10
    4
   27   12   28   12   29   12   30   12
    4
   27   13   28   13   29   13   30   13
    4
   27   16   28   16   29   16   30   16
    4
   27   17   28   17   29   17   30   17
    4
   27   23   28   23   29   23   30   23
    4
   27   24   28   24   29   24   30   24
    4
   33    9   34    9   35    9   36    9
    4
   33   10   34   10   35   10   36   10
    4
   33   12   34   12   35   12   36   12
    4
   33   13   34   13   35   13   36   13
    4
   33   16   34   16   35   16   36   16
    4
   33   17   34   17   35   17   36   17
    4
   33   23   34   23   35   23   36   23
    4
   33   24   34   24   35   24   36   24
    4
   37    1   38    1   39    1   40    1
    4
   37    2   38    2   39    2   40    2
    4
   37    9   38    9   39    9   40    9
    4
   37   10   38   10   39   10   40   10
    4
   37   12   38   12   39   12   40   12
    4
   37   13   38   13   39   13   40   13
    4
   37   16   38   16   39   16   40   16
    4
   37   17   38   17   39   17   40   17
    4
   37   23   38   23   39   23   40   23
    4
   37   24   38   24   39   24   40   24
    4
   37   40   38   40   39   40   40   40
    4
   37   41   38   41   39   41   40   41
    4
   41    9   42    9   43    9   44    9
    4
   41   10   42   10   43   10   44   10
    4
   41   12   42   12   43   12   44   12
    4
   41   13   42   13   43   13   44   13
    4
   41   16   42   16   43   16   44   16
    4
   41   17   42   17   43   17   44   17
    4
   41   23   42   23   43   23   44   23
    4
   41   24   42   24   43   24   44   24
    4
   47    9   48    9   49    9   50    9
    4
   47   10   48   10   49   10   50   10
    4
   47   12   48   12   49   12   50   12
    4
   47   13   48   13   49   13   50   13
    4
   47   16   48   16   49   16   50   16
    4
   47   17   48   17   49   17   50   17
    4
   47   23   48   23   49   23   50   23
    4
   47   24   48   24   49   24   50   24
    4
   53    9   54    9   55    9   56    9
    4
   53   10   54   10   55   10   56   10
    4
   53   12   54   12   55   12   56   12
    4
   53   13   54   13   55   13   56   13
    4
   53   16   54   16   55   16   56   16
    4
   53   17   54   17   55   17   56   17
    4
   53   23   54   23   55   23   56   23
    4
   53   24   54   24   55   24   56   24
    4
   57    1   58    1   59    1   60    1
    4
   57    2   58    2   59    2   60    2
    4
   57    9   58    9   59    9   60    9
    4
   57   10   58   10   59   10   60   10
    4
   57   12   58   12   59   12   60   12
    4
   57   13   58   13   59   13   60   13
    4
   57   16   58   16   59   16   60   16
    4
   57   17   58   17   59   17   60   17
    4
   57   23   58   23   59   23   60   23
    4
   57   24   58   24   59   24   60   24
    4
   57   43   58   43   59   43   60   43
    4
   57   44   58   44   59   44   60   44
    4
   61    9   62    9   63    9   64    9
    4
   61   10   62   10   63   10   64   10
    4
   61   12   62   12   63   12   64   12
    4
   61   13   62   13   63   13   64   13
    4
   61   16   62   16   63   16   64   16
    4
   61   17   62   17   63   17   64   17
    4
   61   23   62   23   63   23   64   23
    4
   61   24   62   24   63   24   64   24
    4
   67    9   68    9   69    9   70    9
    4
   67   10   68   10   69   10   70   10
    4
   67   12   68   12   69   12   70   12
    4
   67   13   68   13   69   13   70   13
    4
   67   16   68   16   69   16   70   16
    4
   67   17   68   17   69   17   70   17
    4
   67   23   68   23   69   23   70   23
    4
   67   24   68   24   69   24   70   24
    4
   73    9   74    9   75    9   76    9
    4
   73   10   74   10   75   10   76   10
    4
   73   12   74   12   75   12   76   12
    4
   73   13   74   13   75   13   76   13
    4
   73   16   74   16   75   16   76   16
    4
   73   17   74   17   75   17   76   17
    4
   73   23   74   23   75   23   76   23
    4
   73   24   74   24   75   24   76   24
    4
   77    1   78    1   79    1   80    1
    4
   77    2   78    2   79    2   80    2
    4
   77    9   78    9   79    9   80    9
    4
   77   10   78   10   79   10   80   10
    4
   77   12   78   12   79   12   80   12
    4
   77   13   78   13   79   13   80   13
    4
   77   16   78   16   79   16   80   16
    4
   77   17   78   17   79   17   80   17
    4
   77   23   78   23   79   23   80   23
    4
   77   24   78   24   79   24   80   24
    4
   77   41   78   41   79   41   80   41
    4
   77   42   78   42   79   42   80   42
    4
   81    9   82    9   83    9   84    9
    4
   81   10   82   10   83   10   84   10
    4
   81   12   82   12   83   12   84   12
    4
   81   13   82   13   83   13   84   13
    4
   81   16   82   16   83   16   84   16
    4
   81   17   82   17   83   17   84   17
    4
   81   23   82   23   83   23   84   23
    4
   81   24   82   24   83   24   84   24
    4
   81   36   82   36   83   36   84   36
    4
   81   37   82   37   83   37   84   37
    4
   87    9   88    9   89    9   90    9
    4
   87   10   88   10   89   10   90   10
    4
   87   12   88   12   89   12   90   12
    4
   87   13   88   13   89   13   90   13
    4
   87   16   88   16   89   16   90   16
    4
   87   17   88   17   89   17   90   17
    4
   87   23   88   23   89   23   90   23
    4
   87   24   88   24   89   24   90   24
    4
   87   36   88   36   89   36   90   36
    4
   87   37   88   37   89   37   90   37
    4
   93    9   94    9   95    9   96    9
    4
   93   10   94   10   95   10   96   10
    4
   93   12   94   12   95   12   96   12
    4
   93   13   94   13   95   13   96   13
    4
   93   16   94   16   95   16   96   16
    4
   93   17   94   17   95   17   96   17
    4
   93   23   94   23   95   23   96   23
    4
   93   24   94   24   95   24   96   24
    4
   93   36   94   36   95   36   96   36
    4
   93   37   94   37   95   37   96   37
    4
   97    1   98    1   99    1  100    1
    4
   97    2   98    2   99    2  100    2
    4
   97    9   98    9   99    9  100    9
    4
   97   10   98   10   99   10  100   10
    4
   97   12   98   12   99   12  100   12
    4
   97   13   98   13   99   13  100   13
    4
   97   16   98   16   99   16  100   16
    4
   97   17   98   17   99   17  100   17
    4
   97   23   98   23   99   23  100   23
    4
   97   24   98   24   99   24  100   24
    4
   97   36   98   36   99   36  100   36
    4
   97   37   98   37   99   37  100   37
    4
   97   42   98   42   99   42  100   42
    4
   97   43   98   43   99   43  100   43
    4
  101    9  102    9  103    9  104    9
    4
  101   10  102   10  103   10  104   10
    4
  101   12  102   12  103   12  104   12
    4
  101   13  102   13  103   13  104   13
    4
  101   16  102   16  103   16  104   16
    4
  101   17  102   17  103   17  104   17
    4
  101   23  102   23  103   23  104   23
    4
  101   24  102   24  103   24  104   24
    4
  107    9  108    9  109    9  110    9
    4
  107   10  108   10  109   10  110   10
    4
  107   12  108   12  109   12  110   12
    4
  107   13  108   13  109   13  110   13
    4
  107   16  108   16  109   16  110   16
    4
  107   17  108   17  109   17  110   17
    4
  107   23  108   23  109   23  110   23
    4
  107   24  108   24  109   24  110   24
    4
  113    9  114    9  115    9  116    9
    4
  113   10  114   10  115   10  116   10
    4
  113   12  114   12  115   12  116   12
    4
  113   13  114   13  115   13  116   13
    4
  113   16  114   16  115   16  116   16
    4
  113   17  114   17  115   17  116   17
    4
  113   23  114   23  115   23  116   23
    4
  113   24  114   24  115   24  116   24
    4
  117    1  118    1  119    1  120    1
    4
  117    2  118    2  119    2  120    2
    4
  117    9  118    9  119    9  120    9
    4
  117   10  118   10  119   10  120   10
    4
  117   12  118   12  119   12  120   12
    4
  117   13  118   13  119   13  120   13
    4
  117   16  118   16  119   16  120   16
    4
  117   17  118   17  119   17  120   17
    4
  117   23  118   23  119   23  120   23
    4
  117   24  118   24  119   24  120   24
    4
  117   39  118   39  119   39  120   39
    4
  117   40  118   40  119   40  120   40
    6               Inter-'molecular' charge equivalencing B (i. e. for different molecules)
    1    9   21    9   41    9   61    9   81    9  101    9
    6
    1   10   21   10   41   10   61   10   81   10  101   10
    6
    1   12   21   12   41   12   61   12   81   12  101   12
    6
    1   13   21   13   41   13   61   13   81   13  101   13
    6
    1   16   21   16   41   16   61   16   81   16  101   16
    6
    1   17   21   17   41   17   61   17   81   17  101   17
    6
    7    9   27    9   47    9   67    9   87    9  107    9
    6
    7   10   27   10   47   10   67   10   87   10  107   10
    6
    7   12   27   12   47   12   67   12   87   12  107   12
    6
    7   13   27   13   47   13   67   13   87   13  107   13
    6
    7   16   27   16   47   16   67   16   87   16  107   16
    6
    7   17   27   17   47   17   67   17   87   17  107   17
    6
   13    9   33    9   53    9   73    9   93    9  113    9
    6
   13   10   33   10   53   10   73   10   93   10  113   10
    6
   13   12   33   12   53   12   73   12   93   12  113   12
    6
   13   13   33   13   53   13   73   13   93   13  113   13
    6
   13   16   33   16   53   16   73   16   93   16  113   16
    6
   13   17   33   17   53   17   73   17   93   17  113   17









































