 RESP-A1 project. RESP input generated by R.E.D.
 &cntrl
  ioutopt=1, iqopt=1, nmol=10, ihfree=1, irstrnt=1, qwt= 0.0005 
 &end 
  1.0
 MeCOOH 
    0    8          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    8    0                      7
    1    0                      8

  1.0
 MeCOOH 
    0    8
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    8    0                      7
    1    0                      8

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

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36

  1.0
 O-methyl-tyrosine-dipeptide 
    0   36
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    7    0                      7
    1    0                      8
    6    0                      9
    1    0                     10
    6    0                     11
    8    0                     12
    6    0                     13
    1    0                     14
    1    0                     15
    6    0                     16
    6    0                     17
    1    0                     18
    6   17                     19
    1   18                     20
    6    0                     21
    1    0                     22
    6   21                     23
    1   22                     24
    6    0                     25
    8    0                     26
    6    0                     27
    1    0                     28
    1    0                     29
    1    0                     30
    7    0                     31
    1    0                     32
    6    0                     33
    1    0                     34
    1    0                     35
    1    0                     36
                    Intra and/or inter-molecular charge restraints for atom or group of atoms
    6  0.000000
    3    1    3    2    3    3    3    4    3    5    3    6
   12  0.000000
    1    1    1    2    1    3    1    4    3   11    3   12    3   31    3   32
    3   33    3   34    3   35    3   36
                    Inter-'molecular' charge equivalencing (i.e. for different orientations or conformations)
    2
    1    1    2    1
    2
    1    2    2    2
    2
    1    3    2    3
    2
    1    4    2    4
    2
    1    5    2    5
    2
    1    6    2    6
    2
    1    7    2    7
    2
    1    8    2    8
    8
    3    1    4    1    5    1    6    1    7    1    8    1    9    1   10    1
    8
    3    2    4    2    5    2    6    2    7    2    8    2    9    2   10    2
    8
    3    3    4    3    5    3    6    3    7    3    8    3    9    3   10    3
    8
    3    4    4    4    5    4    6    4    7    4    8    4    9    4   10    4
    8
    3    5    4    5    5    5    6    5    7    5    8    5    9    5   10    5
    8
    3    6    4    6    5    6    6    6    7    6    8    6    9    6   10    6
    8
    3    7    4    7    5    7    6    7    7    7    8    7    9    7   10    7
    8
    3    8    4    8    5    8    6    8    7    8    8    8    9    8   10    8
    8
    3    9    4    9    5    9    6    9    7    9    8    9    9    9   10    9
    8
    3   10    4   10    5   10    6   10    7   10    8   10    9   10   10   10
    8
    3   11    4   11    5   11    6   11    7   11    8   11    9   11   10   11
    8
    3   12    4   12    5   12    6   12    7   12    8   12    9   12   10   12
    8
    3   13    4   13    5   13    6   13    7   13    8   13    9   13   10   13
    8
    3   14    4   14    5   14    6   14    7   14    8   14    9   14   10   14
    8
    3   15    4   15    5   15    6   15    7   15    8   15    9   15   10   15
    8
    3   16    4   16    5   16    6   16    7   16    8   16    9   16   10   16
    8
    3   17    4   17    5   17    6   17    7   17    8   17    9   17   10   17
    8
    3   18    4   18    5   18    6   18    7   18    8   18    9   18   10   18
    8
    3   21    4   21    5   21    6   21    7   21    8   21    9   21   10   21
    8
    3   22    4   22    5   22    6   22    7   22    8   22    9   22   10   22
    8
    3   25    4   25    5   25    6   25    7   25    8   25    9   25   10   25
    8
    3   26    4   26    5   26    6   26    7   26    8   26    9   26   10   26
    8
    3   27    4   27    5   27    6   27    7   27    8   27    9   27   10   27
    8
    3   28    4   28    5   28    6   28    7   28    8   28    9   28   10   28
    8
    3   29    4   29    5   29    6   29    7   29    8   29    9   29   10   29
    8
    3   30    4   30    5   30    6   30    7   30    8   30    9   30   10   30
    8
    3   31    4   31    5   31    6   31    7   31    8   31    9   31   10   31
    8
    3   32    4   32    5   32    6   32    7   32    8   32    9   32   10   32
    8
    3   33    4   33    5   33    6   33    7   33    8   33    9   33   10   33
    8
    3   34    4   34    5   34    6   34    7   34    8   34    9   34   10   34
    8
    3   35    4   35    5   35    6   35    7   35    8   35    9   35   10   35
    8
    3   36    4   36    5   36    6   36    7   36    8   36    9   36   10   36






