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
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    2
    1   14    2   14
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    1   15    2   15
    2
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    2
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    2
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    2
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    2
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    2
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    2
    1   40    2   40
    2
    1   41    2   41
    2
    1   42    2   42