COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.259  -1.490  -2.202  1.00  0.00           C  
HETATM    2  C   UNL     1       2.404  -0.978   0.395  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.438   0.676  -0.362  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.816   2.514  -0.236  1.00  0.00           C  
HETATM    5  C   UNL     1       0.308   1.816  -0.454  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.213   1.206   0.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.690   1.324   0.293  1.00  0.00           C  
HETATM    8  C   UNL     1       7.150   3.154  -0.287  1.00  0.00           C  
HETATM    9  C   UNL     1       7.343   1.700   0.149  1.00  0.00           C  
HETATM   10  C   UNL     1       5.979   1.062   0.417  1.00  0.00           C  
HETATM   11  S   UNL     1       6.208  -0.662   0.933  1.00  0.00           S  
HETATM   12  N   UNL     1       4.672  -1.225   1.187  1.00  0.00           N  
HETATM   13  O   UNL     1       6.695  -1.446  -0.147  1.00  0.00           O  
HETATM   14  O   UNL     1       6.820  -0.721   2.215  1.00  0.00           O  
HETATM   15  C   UNL     1       3.745  -1.229   0.138  1.00  0.00           C  
HETATM   16  C   UNL     1       4.167  -1.489  -1.159  1.00  0.00           C  
HETATM   17  C   UNL     1       1.923  -1.231  -1.962  1.00  0.00           C  
HETATM   18  C   UNL     1       1.485  -0.972  -0.658  1.00  0.00           C  
HETATM   19  F   UNL     1       1.991  -0.730   1.657  1.00  0.00           F  
HETATM   20  F   UNL     1       1.041  -1.226  -2.985  1.00  0.00           F  
HETATM   21  C   UNL     1       0.057  -0.706  -0.394  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.709  -1.632  -0.204  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.840   1.109  -0.218  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.502   2.900  -0.379  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.053   0.440  -0.082  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.111   2.599   0.007  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.949   3.198  -0.123  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.536   0.551   0.179  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.918   0.712   0.428  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.007  -0.673   0.446  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.860  -1.446   0.328  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.627  -0.840   0.204  1.00  0.00           C  
HETATM   33  O   UNL     1      -9.218  -1.273   0.580  1.00  0.00           O  
HETATM   34  C   UNL     1      -9.237  -2.702   0.591  1.00  0.00           C  
HETATM   35  H   UNL     1       3.595  -1.689  -3.209  1.00  0.00           H  
HETATM   36  H   UNL     1       1.381   1.848  -0.567  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.621   2.402   0.279  1.00  0.00           H  
HETATM   38  H   UNL     1       8.122   3.609  -0.478  1.00  0.00           H  
HETATM   39  H   UNL     1       6.550   3.184  -1.197  1.00  0.00           H  
HETATM   40  H   UNL     1       6.639   3.705   0.502  1.00  0.00           H  
HETATM   41  H   UNL     1       7.853   1.149  -0.641  1.00  0.00           H  
HETATM   42  H   UNL     1       7.943   1.671   1.058  1.00  0.00           H  
HETATM   43  H   UNL     1       5.469   1.613   1.206  1.00  0.00           H  
HETATM   44  H   UNL     1       5.379   1.092  -0.493  1.00  0.00           H  
HETATM   45  H   UNL     1       4.414  -1.552   2.063  1.00  0.00           H  
HETATM   46  H   UNL     1       5.210  -1.693  -1.355  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.198   3.820  -0.422  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.095  -0.639  -0.066  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.007   3.196   0.095  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.812   1.311   0.521  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.932  -2.524   0.343  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.735  -1.442   0.116  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.263  -3.052   0.703  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.826  -3.078  -0.346  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.636  -3.067   1.424  1.00  0.00           H  
CONECT    1   16   17   17   35                                       
CONECT    2   15   19   18   18                                       
CONECT    3   21    5    5   23                                       
CONECT    4   24   23   23   27                                       
CONECT    5    3    3   24   36                                       
CONECT    6   25   25   26   28                                       
CONECT    7   28   29   29   37                                       
CONECT    8    9   38   39   40                                       
CONECT    9   10    8   41   42                                       
CONECT   10   11    9   43   44                                       
CONECT   11   13   13   14   14                                       
CONECT   11   10   12                                                 
CONECT   12   11   15   45                                            
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15   12   16   16    2                                       
CONECT   16   15   15    1   46                                       
CONECT   17    1    1   18   20                                       
CONECT   18    2    2   17   21                                       
CONECT   19    2                                                      
CONECT   20   17                                                      
CONECT   21   18   22   22    3                                       
CONECT   22   21   21                                                 
CONECT   23    3    4    4   25                                       
CONECT   24    5    4   47                                            
CONECT   25   23    6    6   48                                       
CONECT   26   27   27    6   49                                       
CONECT   27    4   26   26                                            
CONECT   28    6   32   32    7                                       
CONECT   29    7    7   30   50                                       
CONECT   30   31   31   29   33                                       
CONECT   31   32   30   30   51                                       
CONECT   32   28   28   31   52                                       
CONECT   33   30   34                                                 
CONECT   34   33   53   54   55                                       
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
