COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.281   0.336   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       0.966  -1.673  -0.133  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.115   0.500   0.029  1.00  0.00           C  
HETATM    4  C   UNL     1       1.231   2.618   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.366   1.274   0.084  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.748   1.268   0.076  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.818  -1.495  -0.133  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.612   2.106   1.332  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.501   2.469  -1.035  1.00  0.00           C  
HETATM   10  C   UNL     1       6.928  -0.621  -1.135  1.00  0.00           C  
HETATM   11  C   UNL     1       7.395  -1.050   0.255  1.00  0.00           C  
HETATM   12  C   UNL     1       6.238  -1.743   0.986  1.00  0.00           C  
HETATM   13  C   UNL     1       5.134  -0.721   1.163  1.00  0.00           C  
HETATM   14  C   UNL     1       4.827   0.155   0.027  1.00  0.00           C  
HETATM   15  C   UNL     1       5.677   0.204  -1.053  1.00  0.00           C  
HETATM   16  C   UNL     1       3.610   0.980   0.043  1.00  0.00           C  
HETATM   17  C   UNL     1       2.183  -1.059  -0.094  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.206  -0.909  -0.078  1.00  0.00           C  
HETATM   19  C   UNL     1       1.129   1.118   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.518  -0.782  -0.075  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.409   1.429   1.288  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.159   2.622   0.171  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.298   1.793  -1.086  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.151  -3.470  -0.269  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.982  -4.988  -0.361  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.421  -1.485  -0.125  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.529   0.583   0.028  1.00  0.00           N  
HETATM   28  O   UNL     1       5.377   1.022  -2.073  1.00  0.00           O  
HETATM   29  O   UNL     1       4.524  -0.630   2.209  1.00  0.00           O  
HETATM   30  O   UNL     1       3.698   2.192   0.090  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.356   2.487   0.176  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.845  -2.839  -0.216  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.856  -0.868  -0.105  1.00  0.00           O  
HETATM   34  H   UNL     1       0.907  -2.749  -0.207  1.00  0.00           H  
HETATM   35  H   UNL     1       1.318   3.045  -0.833  1.00  0.00           H  
HETATM   36  H   UNL     1       0.338   3.010   0.652  1.00  0.00           H  
HETATM   37  H   UNL     1       2.111   2.882   0.753  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.126   2.231   2.273  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.929   2.877  -1.939  1.00  0.00           H  
HETATM   40  H   UNL     1       7.713  -0.034  -1.611  1.00  0.00           H  
HETATM   41  H   UNL     1       6.731  -1.509  -1.736  1.00  0.00           H  
HETATM   42  H   UNL     1       8.232  -1.742   0.160  1.00  0.00           H  
HETATM   43  H   UNL     1       7.710  -0.172   0.820  1.00  0.00           H  
HETATM   44  H   UNL     1       5.874  -2.582   0.393  1.00  0.00           H  
HETATM   45  H   UNL     1       6.575  -2.097   1.960  1.00  0.00           H  
HETATM   46  H   UNL     1       3.083  -1.655  -0.137  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.982   1.025   2.194  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.100   3.151   0.208  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.784   1.673  -2.029  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.693  -3.111  -1.144  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.712  -3.221   0.632  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.421  -5.237  -1.262  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.440  -5.346   0.515  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.963  -5.461  -0.400  1.00  0.00           H  
HETATM   55  H   UNL     1       4.603   1.592  -1.965  1.00  0.00           H  
CONECT    1   16   19   19   17                                       
CONECT    2   17   17   18   34                                       
CONECT    3   19    5   18   18                                       
CONECT    4   19   35   36   37                                       
CONECT    5   31   31    3   27                                       
CONECT    6   21   27   23   23                                       
CONECT    7   20   32   33   33                                       
CONECT    8   21   21   22   38                                       
CONECT    9   22   22   23   39                                       
CONECT   10   15   11   40   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   14   29   29   12                                       
CONECT   14   15   15   16   13                                       
CONECT   15   28   10   14   14                                       
CONECT   16   30   30   14    1                                       
CONECT   17    1    2    2   46                                       
CONECT   18    3    3    2   26                                       
CONECT   19    4    1    1    3                                       
CONECT   20   27   26   26    7                                       
CONECT   21    8    8    6   47                                       
CONECT   22    8    9    9   48                                       
CONECT   23    6    6    9   49                                       
CONECT   24   32   25   50   51                                       
CONECT   25   24   52   53   54                                       
CONECT   26   18   20   20                                            
CONECT   27    5    6   20                                            
CONECT   28   15   55                                                 
CONECT   29   13   13                                                 
CONECT   30   16   16                                                 
CONECT   31    5    5                                                 
CONECT   32    7   24                                                 
CONECT   33    7    7                                                 
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
