COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.972   1.977   0.716  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.112   0.554   0.767  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.726  -0.086   0.883  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.894   0.352  -0.247  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.773   1.817  -0.268  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.168   2.438  -0.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.646  -0.249  -0.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.529  -1.650  -0.181  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.255  -2.222  -0.141  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.189  -1.391  -0.128  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.345  -0.084  -0.153  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.544   0.488  -0.198  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.297  -3.626  -0.118  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.506  -4.166  -0.139  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.743  -2.921  -0.189  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.140   0.781  -0.137  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.276   2.167  -0.162  1.00  0.00           C  
HETATM   18  C   UNL     1       1.128   0.209  -0.091  1.00  0.00           C  
HETATM   19  C   UNL     1       2.253   1.021  -0.071  1.00  0.00           C  
HETATM   20  C   UNL     1       2.114   2.402  -0.096  1.00  0.00           C  
HETATM   21  C   UNL     1       0.851   2.973  -0.148  1.00  0.00           C  
HETATM   22  O   UNL     1       0.719   4.326  -0.173  1.00  0.00           O  
HETATM   23  N   UNL     1       3.527   0.448  -0.019  1.00  0.00           N  
HETATM   24  C   UNL     1       4.714   1.306   0.009  1.00  0.00           C  
HETATM   25  C   UNL     1       5.952   0.447   0.064  1.00  0.00           C  
HETATM   26  C   UNL     1       6.560   0.036  -1.108  1.00  0.00           C  
HETATM   27  C   UNL     1       7.695  -0.751  -1.059  1.00  0.00           C  
HETATM   28  C   UNL     1       8.224  -1.127   0.165  1.00  0.00           C  
HETATM   29  C   UNL     1       7.614  -0.714   1.337  1.00  0.00           C  
HETATM   30  C   UNL     1       6.482   0.077   1.286  1.00  0.00           C  
HETATM   31  F   UNL     1       9.333  -1.896   0.214  1.00  0.00           F  
HETATM   32  H   UNL     1      -7.714   0.278   1.633  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.600   0.204  -0.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.260   0.223   1.819  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.823  -1.171   0.866  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.291   2.156   0.649  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.174   2.120  -1.128  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.628   2.142  -1.316  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.088   3.524  -0.331  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.401  -4.226  -0.087  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.703  -5.227  -0.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.259   2.614  -0.194  1.00  0.00           H  
HETATM   43  H   UNL     1       1.237  -0.866  -0.071  1.00  0.00           H  
HETATM   44  H   UNL     1       2.991   3.033  -0.080  1.00  0.00           H  
HETATM   45  H   UNL     1       0.710   4.703  -1.063  1.00  0.00           H  
HETATM   46  H   UNL     1       3.624  -0.516  -0.001  1.00  0.00           H  
HETATM   47  H   UNL     1       4.739   1.921  -0.890  1.00  0.00           H  
HETATM   48  H   UNL     1       4.679   1.948   0.888  1.00  0.00           H  
HETATM   49  H   UNL     1       6.147   0.329  -2.062  1.00  0.00           H  
HETATM   50  H   UNL     1       8.170  -1.072  -1.974  1.00  0.00           H  
HETATM   51  H   UNL     1       8.025  -1.007   2.292  1.00  0.00           H  
HETATM   52  H   UNL     1       6.006   0.399   2.200  1.00  0.00           H  
CONECT    1    6    2                                                 
CONECT    2    3    1   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    7    5    3                                            
CONECT    5    4    6   36   37                                       
CONECT    6    5    1   38   39                                       
CONECT    7   12   12    8    4                                       
CONECT    8    9    9    7   15                                       
CONECT    9   10   13    8    8                                       
CONECT   10   11   11    9                                            
CONECT   11   16   10   10   12                                       
CONECT   12   11    7    7                                            
CONECT   13    9   14   14   40                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14    8                                                 
CONECT   16   18   18   17   11                                       
CONECT   17   21   21   16   42                                       
CONECT   18   19   16   16   43                                       
CONECT   19   23   20   20   18                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   17   17                                       
CONECT   22   21   45                                                 
CONECT   23   24   19   46                                            
CONECT   24   25   23   47   48                                       
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   49                                       
CONECT   27   28   28   26   50                                       
CONECT   28   29   31   27   27                                       
CONECT   29   30   30   28   51                                       
CONECT   30   29   29   25   52                                       
CONECT   31   28                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
