COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.015  -0.074  -0.664  1.00  0.00           C  
HETATM    2  C   UNL     1       5.930   0.947   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       8.385   1.376   0.441  1.00  0.00           C  
HETATM    4  C   UNL     1      12.048   2.045  -0.449  1.00  0.00           C  
HETATM    5  C   UNL     1      13.218   2.227   0.521  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.208   0.424   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.793  -6.569  -0.134  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.848  -5.114  -0.308  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.284  -3.042  -0.757  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.279  -1.888   0.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.257  -1.584  -0.873  1.00  0.00           C  
HETATM   12  C   UNL     1       2.364   0.339  -0.596  1.00  0.00           C  
HETATM   13  C   UNL     1       4.761   0.765  -0.706  1.00  0.00           C  
HETATM   14  C   UNL     1       7.216   1.194  -0.529  1.00  0.00           C  
HETATM   15  C   UNL     1      10.782   1.802   0.332  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.916   1.536  -0.645  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.803  -4.353   0.202  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.771  -6.342   0.975  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.726  -4.260  -0.885  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.095  -3.056  -0.089  1.00  0.00           N  
HETATM   21  N   UNL     1       3.530   0.529   0.053  1.00  0.00           N  
HETATM   22  N   UNL     1       9.616   1.612  -0.318  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.772  -4.990   0.842  1.00  0.00           N  
HETATM   24  N   UNL     1       0.277  -6.940   1.621  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.741  -7.099   0.508  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.689  -7.282  -0.559  1.00  0.00           O  
HETATM   27  O   UNL     1       0.938  -2.346  -0.695  1.00  0.00           O  
HETATM   28  O   UNL     1       1.233   0.122   0.101  1.00  0.00           O  
HETATM   29  O   UNL     1      10.812   1.777   1.544  1.00  0.00           O  
HETATM   30  O   UNL     1       2.334   0.364  -1.811  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.977   2.070   0.150  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.093   3.516   0.736  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.466   5.440  -0.149  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.614   3.202   0.060  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.990   4.624   2.181  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.552   2.884  -1.647  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.070   4.604  -0.544  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.093  -0.696   0.299  1.00  0.00           O  
HETATM   39  P   UNL     1      -3.936   3.260  -0.354  1.00  0.00           P  
HETATM   40  P   UNL     1      -6.539   4.222   0.688  1.00  0.00           P  
HETATM   41  H   UNL     1       0.081   0.440  -1.623  1.00  0.00           H  
HETATM   42  H   UNL     1       5.734   1.801   0.913  1.00  0.00           H  
HETATM   43  H   UNL     1       6.044   0.048   0.870  1.00  0.00           H  
HETATM   44  H   UNL     1       8.189   2.230   1.090  1.00  0.00           H  
HETATM   45  H   UNL     1       8.499   0.477   1.047  1.00  0.00           H  
HETATM   46  H   UNL     1      11.935   2.944  -1.054  1.00  0.00           H  
HETATM   47  H   UNL     1      12.244   1.192  -1.098  1.00  0.00           H  
HETATM   48  H   UNL     1      13.022   3.081   1.170  1.00  0.00           H  
HETATM   49  H   UNL     1      13.331   1.328   1.127  1.00  0.00           H  
HETATM   50  H   UNL     1      14.134   2.403  -0.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.890   0.794   1.106  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.782  -2.157  -1.124  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.769  -2.042   1.203  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.693  -1.768  -1.855  1.00  0.00           H  
HETATM   55  H   UNL     1       4.648   1.664  -1.311  1.00  0.00           H  
HETATM   56  H   UNL     1       4.957  -0.088  -1.355  1.00  0.00           H  
HETATM   57  H   UNL     1       7.412   0.341  -1.178  1.00  0.00           H  
HETATM   58  H   UNL     1       7.102   2.093  -1.134  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.203   2.327  -0.879  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.325   1.130  -1.570  1.00  0.00           H  
HETATM   61  H   UNL     1       3.554   0.509   1.022  1.00  0.00           H  
HETATM   62  H   UNL     1       9.592   1.632  -1.287  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.036  -4.471   1.204  1.00  0.00           H  
HETATM   64  H   UNL     1       1.002  -6.400   1.974  1.00  0.00           H  
HETATM   65  H   UNL     1       0.296  -7.904   1.726  1.00  0.00           H  
HETATM   66  H   UNL     1       0.803  -3.303  -0.727  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.714   2.379   0.558  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.854   5.055   2.228  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.637   4.910   0.264  1.00  0.00           H  
CONECT    1   11    6   28   41                                       
CONECT    2   13   14   42   43                                       
CONECT    3   14   22   44   45                                       
CONECT    4    5   15   46   47                                       
CONECT    5    4   48   49   50                                       
CONECT    6   16    1   38   51                                       
CONECT    7   26   26    8   25                                       
CONECT    8   19    7   17   17                                       
CONECT    9   19   19   20   52                                       
CONECT   10   11   20   38   53                                       
CONECT   11   27   10    1   54                                       
CONECT   12   28   30   30   21                                       
CONECT   13   21    2   55   56                                       
CONECT   14    2    3   57   58                                       
CONECT   15    4   22   29   29                                       
CONECT   16   31    6   59   60                                       
CONECT   17    8    8   20   23                                       
CONECT   18   25   25   23   24                                       
CONECT   19    9    9    8                                            
CONECT   20    9   17   10                                            
CONECT   21   12   13   61                                            
CONECT   22   15    3   62                                            
CONECT   23   17   18   63                                            
CONECT   24   18   64   65                                            
CONECT   25    7   18   18                                            
CONECT   26    7    7                                                 
CONECT   27   11   66                                                 
CONECT   28    1   12                                                 
CONECT   29   15   15                                                 
CONECT   30   12   12                                                 
CONECT   31   39   16                                                 
CONECT   32   40   39                                                 
CONECT   33   40   40                                                 
CONECT   34   40   67                                                 
CONECT   35   40   68                                                 
CONECT   36   39   39                                                 
CONECT   37   39   69                                                 
CONECT   38   10    6                                                 
CONECT   39   36   36   37   32                                       
CONECT   39   31                                                      
CONECT   40   33   33   34   32                                       
CONECT   40   35                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
