COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.485   0.793   0.679  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.566  -0.516   1.270  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.827  -0.043   1.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.595  -0.664  -0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.843   2.296  -2.607  1.00  0.00           C  
HETATM    6  C   UNL     1       3.920  -2.915  -0.795  1.00  0.00           C  
HETATM    7  C   UNL     1       5.040  -1.329   0.783  1.00  0.00           C  
HETATM    8  C   UNL     1       4.231  -1.518  -0.324  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.877   1.153  -0.521  1.00  0.00           C  
HETATM   10  C   UNL     1       5.096   2.420   1.013  1.00  0.00           C  
HETATM   11  C   UNL     1       3.973   3.688  -0.978  1.00  0.00           C  
HETATM   12  C   UNL     1       2.415  -4.822  -0.468  1.00  0.00           C  
HETATM   13  C   UNL     1       4.871   4.941   0.361  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.614   0.680  -0.824  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.727  -1.669  -0.149  1.00  0.00           C  
HETATM   16  C   UNL     1       2.652  -3.417  -0.100  1.00  0.00           C  
HETATM   17  C   UNL     1       0.429  -2.493   0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.951  -0.155   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.294   0.844   2.222  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.728   1.257   0.976  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.526   1.968  -1.395  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.905  -0.405  -1.331  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.834  -0.972  -1.291  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.842  -1.474   0.524  1.00  0.00           N  
HETATM   25  O   UNL     1       0.402  -3.071   1.345  1.00  0.00           O  
HETATM   26  N   UNL     1       1.510  -2.602  -0.521  1.00  0.00           N  
HETATM   27  C   UNL     1       5.325  -0.052   1.222  1.00  0.00           C  
HETATM   28  C   UNL     1       4.795   1.049   0.548  1.00  0.00           C  
HETATM   29  C   UNL     1       3.981   0.851  -0.568  1.00  0.00           C  
HETATM   30  C   UNL     1       3.708  -0.431  -1.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.683   2.590   2.064  1.00  0.00           O  
HETATM   32  N   UNL     1       4.719   3.481   0.273  1.00  0.00           N  
HETATM   33  C   UNL     1       4.763   4.990  -1.171  1.00  0.00           C  
HETATM   34  N   UNL     1       2.231  -5.907  -0.751  1.00  0.00           N  
HETATM   35  H   UNL     1      -4.055  -1.166   1.965  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.303  -0.323   2.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.629   1.382  -3.162  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.470   2.950  -3.212  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.908   2.804  -2.371  1.00  0.00           H  
HETATM   40  H   UNL     1       3.765  -2.909  -1.874  1.00  0.00           H  
HETATM   41  H   UNL     1       4.753  -3.575  -0.551  1.00  0.00           H  
HETATM   42  H   UNL     1       5.445  -2.182   1.307  1.00  0.00           H  
HETATM   43  H   UNL     1       4.183   2.936  -1.738  1.00  0.00           H  
HETATM   44  H   UNL     1       2.905   3.847  -0.825  1.00  0.00           H  
HETATM   45  H   UNL     1       4.043   5.433   0.870  1.00  0.00           H  
HETATM   46  H   UNL     1       5.844   5.255   0.737  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.141   0.958  -1.755  1.00  0.00           H  
HETATM   48  H   UNL     1       2.775  -3.340   0.980  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.654   1.175   3.039  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.285   1.284   2.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.375  -0.243   2.241  1.00  0.00           H  
HETATM   52  H   UNL     1       1.531  -2.141  -1.374  1.00  0.00           H  
HETATM   53  H   UNL     1       5.956   0.094   2.086  1.00  0.00           H  
HETATM   54  H   UNL     1       3.568   1.699  -1.095  1.00  0.00           H  
HETATM   55  H   UNL     1       3.078  -0.585  -1.864  1.00  0.00           H  
HETATM   56  H   UNL     1       5.713   4.863  -1.690  1.00  0.00           H  
HETATM   57  H   UNL     1       4.170   5.822  -1.551  1.00  0.00           H  
CONECT    1    3    3    9   20                                       
CONECT    2   18   18    3   35                                       
CONECT    3    2    1    1   36                                       
CONECT    4   24   22   22   18                                       
CONECT    5   21   37   38   39                                       
CONECT    6    8   16   40   41                                       
CONECT    7   27    8    8   42                                       
CONECT    8    7    7   30    6                                       
CONECT    9   14   14    1   21                                       
CONECT   10   31   31   32   28                                       
CONECT   11   33   32   43   44                                       
CONECT   12   16   34   34   34                                       
CONECT   13   33   32   45   46                                       
CONECT   14   18    9    9   47                                       
CONECT   15   17   24   24   23                                       
CONECT   16    6   12   26   48                                       
CONECT   17   26   25   25   15                                       
CONECT   18    4    2    2   14                                       
CONECT   19   20   49   50   51                                       
CONECT   20    1   19                                                 
CONECT   21    9    5                                                 
CONECT   22   23    4    4                                            
CONECT   23   15   22                                                 
CONECT   24   15   15    4                                            
CONECT   25   17   17                                                 
CONECT   26   16   17   52                                            
CONECT   27   28   28    7   53                                       
CONECT   28   10   27   27   29                                       
CONECT   29   28   30   30   54                                       
CONECT   30   29   29    8   55                                       
CONECT   31   10   10                                                 
CONECT   32   13   10   11                                            
CONECT   33   13   11   56   57                                       
CONECT   34   12   12   12                                            
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
