COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.128  -0.194  -0.615  1.00  0.00           C  
HETATM    2  C   UNL     1       8.320  -2.062  -0.767  1.00  0.00           C  
HETATM    3  C   UNL     1       8.377  -2.420   1.628  1.00  0.00           C  
HETATM    4  C   UNL     1       7.059   0.028   0.731  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.359   2.944   0.275  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.250   0.821  -0.235  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.226  -2.188   1.475  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.093   5.155   1.464  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.522   3.904   0.847  1.00  0.00           C  
HETATM   10  C   UNL     1       0.842   3.681   0.835  1.00  0.00           C  
HETATM   11  N   UNL     1       1.312   2.571   0.285  1.00  0.00           N  
HETATM   12  C   UNL     1       0.494   1.677  -0.250  1.00  0.00           C  
HETATM   13  N   UNL     1       1.026   0.530  -0.815  1.00  0.00           N  
HETATM   14  C   UNL     1       2.404   0.290  -0.750  1.00  0.00           C  
HETATM   15  C   UNL     1       3.054  -0.322  -1.813  1.00  0.00           C  
HETATM   16  C   UNL     1       4.413  -0.559  -1.748  1.00  0.00           C  
HETATM   17  N   UNL     1       6.505  -0.433  -0.549  1.00  0.00           N  
HETATM   18  C   UNL     1       6.803  -1.856  -0.767  1.00  0.00           C  
HETATM   19  N   UNL     1       8.874  -1.601   0.514  1.00  0.00           N  
HETATM   20  C   UNL     1       8.576  -0.178   0.732  1.00  0.00           C  
HETATM   21  C   UNL     1       4.477   0.413   0.451  1.00  0.00           C  
HETATM   22  C   UNL     1       3.119   0.654   0.384  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.818   1.853  -0.259  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.734   3.123   0.269  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.560   2.169  -0.333  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.073  -0.123  -0.835  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.765  -1.482  -0.738  1.00  0.00           N  
HETATM   28  S   UNL     1      -4.930  -2.563  -0.275  1.00  0.00           S  
HETATM   29  C   UNL     1      -5.844  -0.794   1.600  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.184  -3.225   2.065  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.900  -2.227   2.237  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.305  -3.832  -0.413  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.063  -2.216  -1.058  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.204   0.287  -1.531  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.510   1.631  -1.626  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.692   2.572  -1.031  1.00  0.00           C  
HETATM   37  H   UNL     1       8.543  -3.121  -0.899  1.00  0.00           H  
HETATM   38  H   UNL     1       8.765  -1.492  -1.582  1.00  0.00           H  
HETATM   39  H   UNL     1       8.670  -3.458   1.474  1.00  0.00           H  
HETATM   40  H   UNL     1       8.803  -2.057   2.563  1.00  0.00           H  
HETATM   41  H   UNL     1       7.291  -2.351   1.672  1.00  0.00           H  
HETATM   42  H   UNL     1       6.836   1.086   0.864  1.00  0.00           H  
HETATM   43  H   UNL     1       6.614  -0.543   1.547  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.368   0.505   0.303  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.300   4.977   2.519  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.374   5.968   1.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.017   5.423   0.952  1.00  0.00           H  
HETATM   48  H   UNL     1       1.517   4.404   1.269  1.00  0.00           H  
HETATM   49  H   UNL     1       0.443  -0.108  -1.257  1.00  0.00           H  
HETATM   50  H   UNL     1       2.496  -0.614  -2.691  1.00  0.00           H  
HETATM   51  H   UNL     1       4.920  -1.026  -2.579  1.00  0.00           H  
HETATM   52  H   UNL     1       6.394  -2.170  -1.727  1.00  0.00           H  
HETATM   53  H   UNL     1       6.356  -2.448   0.031  1.00  0.00           H  
HETATM   54  H   UNL     1       9.024   0.413  -0.067  1.00  0.00           H  
HETATM   55  H   UNL     1       8.985   0.136   1.692  1.00  0.00           H  
HETATM   56  H   UNL     1       5.033   0.696   1.333  1.00  0.00           H  
HETATM   57  H   UNL     1       2.614   1.131   1.211  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.122   3.909   0.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.869  -1.792  -0.942  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.789  -0.765   1.057  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.022  -0.568   2.651  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.162  -0.055   1.180  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.744  -4.218   1.976  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.362  -2.999   3.116  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.129  -3.197   1.522  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.249  -1.432   1.875  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.088  -2.087   3.302  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.418  -3.192   2.078  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.845  -0.447  -1.998  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.389   1.946  -2.169  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.934   3.622  -1.108  1.00  0.00           H  
CONECT    1   16   16   17   21                                       
CONECT    2   18   19   37   38                                       
CONECT    3   19   39   40   41                                       
CONECT    4   17   20   42   43                                       
CONECT    5    9    9   23   24                                       
CONECT    6   25   25   26   44                                       
CONECT    7   28   29   30   31                                       
CONECT    8    9   45   46   47                                       
CONECT    9    5    5    8   10                                       
CONECT   10    9   11   11   48                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   23   23                                       
CONECT   13   12   14   49                                            
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   50                                       
CONECT   16    1    1   15   51                                       
CONECT   17    1    4   18                                            
CONECT   18    2   17   52   53                                       
CONECT   19    2    3   20                                            
CONECT   20    4   19   54   55                                       
CONECT   21    1   22   22   56                                       
CONECT   22   14   21   21   57                                       
CONECT   23    5   12   12                                            
CONECT   24    5   25   58                                            
CONECT   25    6    6   24   36                                       
CONECT   26    6   27   34   34                                       
CONECT   27   26   28   59                                            
CONECT   28    7   27   32   32                                       
CONECT   28   33   33                                                 
CONECT   29    7   60   61   62                                       
CONECT   30    7   63   64   65                                       
CONECT   31    7   66   67   68                                       
CONECT   32   28   28                                                 
CONECT   33   28   28                                                 
CONECT   34   26   26   35   69                                       
CONECT   35   34   36   36   70                                       
CONECT   36   25   35   35   71                                       
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
