COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.733   1.377   0.384  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.545  -0.116   0.572  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.952   0.240  -0.637  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.268   0.992  -2.072  1.00  0.00           C  
HETATM    5  O   UNL     1       3.741  -1.222  -0.963  1.00  0.00           O  
HETATM    6  S   UNL     1       3.184  -2.370  -0.338  1.00  0.00           S  
HETATM    7  O   UNL     1       3.211  -3.638  -0.978  1.00  0.00           O  
HETATM    8  C   UNL     1       3.767  -2.509   1.374  1.00  0.00           C  
HETATM    9  C   UNL     1       1.469  -1.994  -0.189  1.00  0.00           C  
HETATM   10  C   UNL     1       0.934  -0.759   0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       1.476   0.594   0.154  1.00  0.00           C  
HETATM   12  C   UNL     1       2.935   0.846   0.104  1.00  0.00           C  
HETATM   13  C   UNL     1       3.749   0.517   1.188  1.00  0.00           C  
HETATM   14  N   UNL     1       5.046   0.741   1.144  1.00  0.00           N  
HETATM   15  C   UNL     1       5.624   1.278   0.087  1.00  0.00           C  
HETATM   16  C   UNL     1       7.112   1.516   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1       7.604   2.904   0.513  1.00  0.00           C  
HETATM   18  C   UNL     1       7.682   2.472  -0.953  1.00  0.00           C  
HETATM   19  C   UNL     1       4.886   1.632  -1.028  1.00  0.00           C  
HETATM   20  C   UNL     1       3.520   1.412  -1.034  1.00  0.00           C  
HETATM   21  C   UNL     1       0.578   1.627   0.343  1.00  0.00           C  
HETATM   22  N   UNL     1       0.462  -2.872  -0.249  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.679  -2.250  -0.101  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.440  -0.923   0.062  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.235   0.173   0.253  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.598   0.009   0.308  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.468   1.169   0.512  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.907   0.720   0.535  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.501   0.356   1.732  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.793   0.402   2.882  1.00  0.00           F  
HETATM   31  C   UNL     1      -5.629   0.662  -0.637  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.660   1.073  -2.742  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.469   0.238  -1.897  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.823  -0.055   1.746  1.00  0.00           C  
HETATM   35  H   UNL     1      -8.576  -0.438   0.591  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.749   1.948  -2.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.668   0.197  -2.515  1.00  0.00           H  
HETATM   38  H   UNL     1       3.362  -1.686   1.964  1.00  0.00           H  
HETATM   39  H   UNL     1       3.433  -3.457   1.796  1.00  0.00           H  
HETATM   40  H   UNL     1       4.856  -2.467   1.392  1.00  0.00           H  
HETATM   41  H   UNL     1       3.312   0.076   2.072  1.00  0.00           H  
HETATM   42  H   UNL     1       7.723   0.659   0.382  1.00  0.00           H  
HETATM   43  H   UNL     1       6.850   3.645   0.780  1.00  0.00           H  
HETATM   44  H   UNL     1       8.538   2.961   1.072  1.00  0.00           H  
HETATM   45  H   UNL     1       8.668   2.244  -1.359  1.00  0.00           H  
HETATM   46  H   UNL     1       6.981   2.929  -1.651  1.00  0.00           H  
HETATM   47  H   UNL     1       5.372   2.072  -1.887  1.00  0.00           H  
HETATM   48  H   UNL     1       2.919   1.679  -1.891  1.00  0.00           H  
HETATM   49  H   UNL     1       0.937   2.639   0.457  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.654  -2.716  -0.108  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.984  -0.876   0.213  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.222   1.646   1.461  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.322   1.880  -0.301  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.030   2.099  -2.740  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.624   0.677  -3.757  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.291  -0.329   2.680  1.00  0.00           H  
CONECT    1   21   25   25                                            
CONECT    2    3   34   34   35                                       
CONECT    3   33   31   31    2                                       
CONECT    4   32   31   36   37                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    8    7                                       
CONECT    6    7    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6   38   39   40                                       
CONECT    9    6   10   10   22                                       
CONECT   10   11    9    9   24                                       
CONECT   11   12   21   21   10                                       
CONECT   12   20   20   13   11                                       
CONECT   13   14   14   12   41                                       
CONECT   14   15   13   13                                            
CONECT   15   16   19   19   14                                       
CONECT   16   18   17   15   42                                       
CONECT   17   18   16   43   44                                       
CONECT   18   17   16   45   46                                       
CONECT   19   15   15   20   47                                       
CONECT   20   19   12   12   48                                       
CONECT   21   11   11    1   49                                       
CONECT   22    9   23   23                                            
CONECT   23   24   22   22   50                                       
CONECT   24   10   25   23                                            
CONECT   25    1    1   24   26                                       
CONECT   26   25   27   51                                            
CONECT   27   26   28   52   53                                       
CONECT   28   31   27   29   29                                       
CONECT   29   28   28   34   30                                       
CONECT   30   29                                                      
CONECT   31    4    3    3   28                                       
CONECT   32    4   33   54   55                                       
CONECT   33   32    3                                                 
CONECT   34    2    2   29   56                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
