COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.425  -0.340  -1.663  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.695  -0.475  -0.545  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.183  -0.219   0.530  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.265  -0.945  -0.631  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.665  -1.011   0.775  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.236  -1.481   0.688  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.216  -0.562   0.546  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.948  -2.832   0.758  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.638  -3.271   0.680  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.611  -2.361   0.533  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.895  -0.998   0.467  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.794  -0.015   0.308  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.078   1.347   0.242  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.051   2.257   0.094  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.356   3.731   0.024  1.00  0.00           C  
HETATM   16  F   UNL     1       0.290   4.392   1.074  1.00  0.00           F  
HETATM   17  F   UNL     1       0.095   4.243  -1.197  1.00  0.00           F  
HETATM   18  F   UNL     1      -1.737   3.927   0.130  1.00  0.00           F  
HETATM   19  C   UNL     1       1.258   1.818   0.012  1.00  0.00           C  
HETATM   20  C   UNL     1       0.526  -0.451   0.229  1.00  0.00           C  
HETATM   21  C   UNL     1       1.546   0.467   0.076  1.00  0.00           C  
HETATM   22  C   UNL     1       2.975  -0.003  -0.010  1.00  0.00           C  
HETATM   23  C   UNL     1       3.915   1.204  -0.030  1.00  0.00           C  
HETATM   24  C   UNL     1       3.809   1.955   1.299  1.00  0.00           C  
HETATM   25  C   UNL     1       5.354   0.726  -0.232  1.00  0.00           C  
HETATM   26  C   UNL     1       3.295  -0.878   1.175  1.00  0.00           C  
HETATM   27  C   UNL     1       2.934  -0.417   2.482  1.00  0.00           C  
HETATM   28  N   UNL     1       2.648  -0.051   3.519  1.00  0.00           N  
HETATM   29  C   UNL     1       3.905  -2.076   1.062  1.00  0.00           C  
HETATM   30  N   UNL     1       4.149  -2.781   2.215  1.00  0.00           N  
HETATM   31  C   UNL     1       3.168  -0.819  -1.263  1.00  0.00           C  
HETATM   32  C   UNL     1       2.805  -0.547  -2.526  1.00  0.00           C  
HETATM   33  C   UNL     1       2.089   0.692  -2.998  1.00  0.00           C  
HETATM   34  N   UNL     1       3.199  -1.586  -3.298  1.00  0.00           N  
HETATM   35  N   UNL     1       3.828  -2.530  -2.471  1.00  0.00           N  
HETATM   36  C   UNL     1       3.811  -2.076  -1.252  1.00  0.00           C  
HETATM   37  O   UNL     1       4.292  -2.629  -0.105  1.00  0.00           O  
HETATM   38  H   UNL     1      -9.337  -0.036  -1.558  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.235  -1.935  -1.086  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.690  -0.248  -1.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.695  -0.021   1.230  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.241  -1.708   1.383  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.441   0.493   0.495  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.749  -3.548   0.874  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.419  -4.327   0.736  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.589  -2.704   0.472  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.100   1.691   0.307  1.00  0.00           H  
HETATM   48  H   UNL     1       2.059   2.534  -0.105  1.00  0.00           H  
HETATM   49  H   UNL     1       0.752  -1.506   0.284  1.00  0.00           H  
HETATM   50  H   UNL     1       3.635   1.870  -0.846  1.00  0.00           H  
HETATM   51  H   UNL     1       4.217   1.337   2.099  1.00  0.00           H  
HETATM   52  H   UNL     1       4.372   2.886   1.236  1.00  0.00           H  
HETATM   53  H   UNL     1       2.762   2.177   1.509  1.00  0.00           H  
HETATM   54  H   UNL     1       5.430   0.191  -1.178  1.00  0.00           H  
HETATM   55  H   UNL     1       6.024   1.586  -0.246  1.00  0.00           H  
HETATM   56  H   UNL     1       5.634   0.061   0.585  1.00  0.00           H  
HETATM   57  H   UNL     1       3.884  -2.414   3.072  1.00  0.00           H  
HETATM   58  H   UNL     1       4.586  -3.645   2.171  1.00  0.00           H  
HETATM   59  H   UNL     1       2.820   1.452  -3.273  1.00  0.00           H  
HETATM   60  H   UNL     1       1.475   0.447  -3.866  1.00  0.00           H  
HETATM   61  H   UNL     1       1.453   1.071  -2.199  1.00  0.00           H  
HETATM   62  H   UNL     1       3.070  -1.664  -4.256  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   39   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6    8    5    7    7                                       
CONECT    7    6    6   11   43                                       
CONECT    8    9    9    6   44                                       
CONECT    9    8    8   10   45                                       
CONECT   10    9   11   11   46                                       
CONECT   11   10   10    7   12                                       
CONECT   12   11   20   20   13                                       
CONECT   13   12   14   14   47                                       
CONECT   14   13   13   19   15                                       
CONECT   15   14   17   18   16                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   21   21   14   48                                       
CONECT   20   12   12   21   49                                       
CONECT   21   20   22   19   19                                       
CONECT   22   31   21   23   26                                       
CONECT   23   22   25   24   50                                       
CONECT   24   23   51   52   53                                       
CONECT   25   23   54   55   56                                       
CONECT   26   22   29   29   27                                       
CONECT   27   26   28   28   28                                       
CONECT   28   27   27   27                                            
CONECT   29   37   26   26   30                                       
CONECT   30   29   57   58                                            
CONECT   31   32   32   36   22                                       
CONECT   32   34   33   31   31                                       
CONECT   33   32   59   60   61                                       
CONECT   34   35   32   62                                            
CONECT   35   34   36   36                                            
CONECT   36   35   35   31   37                                       
CONECT   37   36   29                                                 
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
