 Bulky Alcohols RESP multiconformational fit, stage1  
 &cntrl
  ioutopt=1, iqopt=1, nmol=11, ihfree=1, irstrnt=1, qwt= 0.0005 
 &end 
  1.0
 2Propanol trans 
   0   12
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 2Propanol gauche
   0   12
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 tBuOH 
   0   15
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   
  1.0
 3PeOH Gauche
   0   18
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 3PeOH trans
   0   18
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 OctOH 
   0   27
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 tBdMOH Gauche   
   0   24
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 tBdMOH Trans
   0   24
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
 1Adamantanol 
   0   27
   6    0
   6    0
   1    0
   1    0
   6    0
   1    0
   6    0
   1    0
   1    0
   6    0
   1    0
   6    0
   1    0
   1    0
   6    0
   1    0
   6    0
   1    0
   1    0
   6    0
   1    0
   1    0
   6    0
   1    0
   1    0
   8    0
   1    0

  1.0
2Adamantanol gauche  
   0   27
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0

  1.0
2Adamantanol trans   
   0   27
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   6    0
   8    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0
   1    0


   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
   2
   1    9    2    9
   2
   1   10    2   10
   2
   1   11    2   11
   2
   1   12    2   12
   2
   4    1    2    1
   2
   4    2    2    2
   2
   4    3    2    3
   2
   4    4    2    4
   2
   4    5    2    5
   2
   4    6    2    6
   2
   4    7    2    7
   2
   4    8    2    8
   2
   4    9    2    9
   2
   4   10    2   10
   2
   4   11    2   11
   2
   4   12    2   12
   2
   4   13    2   13
   2
   4   14    2   14
   2
   4   15    2   15
   2
   4   16    2   16
   2
   4   17    2   17
   2
   4   18    2   18
   2
   7    1    2    1
   2
   7    2    2    2
   2
   7    3    2    3
   2
   7    4    2    4
   2
   7    5    2    5
   2
   7    6    2    6
   2
   7    7    2    7
   2
   7    8    2    8
   2
   7    9    2    9
   2
   7   10    2   10
   2
   7   11    2   11
   2
   7   12    2   12
   2
   7   13    2   13
   2
   7   14    2   14
   2
   7   15    2   15
   2
   7   16    2   16
   2
   7   17    2   17
   2
   7   18    2   18
   2
   7   19    2   19
   2
   7   20    2   20
   2
   7   21    2   21
   2
   7   22    2   22
   2
   7   23    2   23
   2
   7   24    2   24
   2
  10    1    2    1
   2
  10    2    2    2
   2
  10    3    2    3
   2
  10    4    2    4
   2
  10    5    2    5
   2
  10    6    2    6
   2
  10    7    2    7
   2
  10    8    2    8
   2
  10    9    2    9
   2
  10   10    2   10
   2
  10   11    2   11
   2
  10   12    2   12
   2
  10   13    2   13
   2
  10   14    2   14
   2
  10   15    2   15
   2
  10   16    2   16
   2
  10   17    2   17
   2
  10   18    2   18
   2
  10   19    2   19
   2
  10   20    2   20
   2
  10   21    2   21
   2
  10   22    2   22
   2
  10   23    2   23
   2
  10   24    2   24
   2
  10   25    2   25
   2
  10   26    2   26
   2
  10   27    2   27
   



