floBF-resp run #1
 &cntrl  
 nmol=2,
 ihfree=1, 
 qwt=0.0005,
 iqopt=2,  
 /
    1.0 
floB 
   -2   42 
    6   -1
    1   -1
    1   -1
    1   -1
    7   -1
    1   -1
    6    0
    8    0
    6    0
    6    0
    1    0
    6    0
    6    0
    8    0
    8    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    8    0
    6    0
    1    0
    6    0
    8    0
    6    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    8    0
    6    0
    1    0

    1.0
floF 
   -2   42 
    6   -1
    1   -1
    1   -1
    1   -1
    7   -1
    1   -1
    6    0
    8    0
    6    0
    6    0
    1    0
    6    0
    6    0
    8    0
    8    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    8    0
    6    0
    1    0
    6    0
    8    0
    6    0
    6    0
    6    0
    1    0
    6    0
    1    0
    6    0
    8    0
    6    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
    1   13    2   13
    2
    1   14    2   14
    2
    1   15    2   15
    2
    1   16    2   16
    2
    1   17    2   17
    2
    1   18    2   18
    2
    1   19    2   19
    2
    1   20    2   20
    2
    1   21    2   21
    2
    1   22    2   22
    2
    1   23    2   23
    2
    1   24    2   24
    2
    1   25    2   25
    2
    1   26    2   26
    2
    1   27    2   27
    2
    1   28    2   28
    2
    1   29    2   29
    2
    1   30    2   30
    2
    1   31    2   31
    2
    1   32    2   32
    2
    1   33    2   33
    2
    1   34    2   34
    2
    1   35    2   35
    2
    1   36    2   36
    2
    1   37    2   37
    2
    1   38    2   38
    2
    1   39    2   39
    2
    1   40    2   40
    2
    1   41    2   41
    2
    1   42    2   42

