COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.162   0.686  -2.196  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.743   0.791  -1.059  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.959  -0.252  -0.127  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.521  -0.136   1.139  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.725  -1.137   2.018  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.684  -1.502  -0.557  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.170  -1.295  -0.412  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.961  -0.819  -1.343  1.00  0.00           N  
HETATM    9  N   UNL     1      -3.878  -1.571   0.675  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.155  -1.271   0.468  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.255  -0.787  -0.806  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.461  -0.396  -1.298  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.559  -0.493  -0.505  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.577   0.139  -2.702  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.243  -1.365   1.242  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.421  -0.992   0.796  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.630  -1.105   1.688  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.068   1.900  -0.688  1.00  0.00           O  
HETATM   19  C   UNL     1       0.898   1.734   0.357  1.00  0.00           C  
HETATM   20  C   UNL     1       0.200   1.115   1.574  1.00  0.00           C  
HETATM   21  C   UNL     1       1.483   3.095   0.737  1.00  0.00           C  
HETATM   22  C   UNL     1       0.370   4.042   1.232  1.00  0.00           C  
HETATM   23  C   UNL     1       2.058   3.806  -0.513  1.00  0.00           C  
HETATM   24  C   UNL     1       2.026   5.299  -0.102  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715   5.443   0.698  1.00  0.00           C  
HETATM   26  C   UNL     1       2.019   0.809  -0.122  1.00  0.00           C  
HETATM   27  C   UNL     1       3.113   0.739   0.944  1.00  0.00           C  
HETATM   28  C   UNL     1       4.166  -0.252   0.520  1.00  0.00           C  
HETATM   29  C   UNL     1       5.257   0.151  -0.235  1.00  0.00           C  
HETATM   30  C   UNL     1       4.069  -1.588   0.879  1.00  0.00           C  
HETATM   31  C   UNL     1       5.054  -2.468   0.471  1.00  0.00           C  
HETATM   32  C   UNL     1       4.959  -3.922   0.855  1.00  0.00           C  
HETATM   33  C   UNL     1       5.026  -4.788  -0.404  1.00  0.00           C  
HETATM   34  N   UNL     1       6.075  -2.050  -0.251  1.00  0.00           N  
HETATM   35  C   UNL     1       6.203  -0.786  -0.606  1.00  0.00           C  
HETATM   36  C   UNL     1       7.393  -0.359  -1.426  1.00  0.00           C  
HETATM   37  C   UNL     1       8.680  -0.776  -0.712  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.448  -1.719  -1.598  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.371  -2.337   0.070  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.527  -0.188  -0.873  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.772  -0.685  -3.389  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.396   0.855  -2.752  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.646   0.632  -2.981  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.090  -2.085   1.555  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.327  -0.984   2.728  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.349  -0.329   1.426  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.517   1.824   1.988  1.00  0.00           H  
HETATM   48  H   UNL     1       0.944   0.864   2.330  1.00  0.00           H  
HETATM   49  H   UNL     1       2.252   2.979   1.500  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.595   3.721   0.840  1.00  0.00           H  
HETATM   51  H   UNL     1       0.346   4.052   2.322  1.00  0.00           H  
HETATM   52  H   UNL     1       3.080   3.481  -0.707  1.00  0.00           H  
HETATM   53  H   UNL     1       1.424   3.631  -1.383  1.00  0.00           H  
HETATM   54  H   UNL     1       2.884   5.541   0.524  1.00  0.00           H  
HETATM   55  H   UNL     1       2.005   5.938  -0.986  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.083   5.802   0.048  1.00  0.00           H  
HETATM   57  H   UNL     1       0.859   6.134   1.529  1.00  0.00           H  
HETATM   58  H   UNL     1       1.617  -0.189  -0.296  1.00  0.00           H  
HETATM   59  H   UNL     1       2.439   1.198  -1.049  1.00  0.00           H  
HETATM   60  H   UNL     1       3.568   1.723   1.064  1.00  0.00           H  
HETATM   61  H   UNL     1       2.678   0.423   1.892  1.00  0.00           H  
HETATM   62  H   UNL     1       5.367   1.184  -0.529  1.00  0.00           H  
HETATM   63  H   UNL     1       3.235  -1.936   1.470  1.00  0.00           H  
HETATM   64  H   UNL     1       5.786  -4.178   1.517  1.00  0.00           H  
HETATM   65  H   UNL     1       4.014  -4.101   1.369  1.00  0.00           H  
HETATM   66  H   UNL     1       4.199  -4.532  -1.066  1.00  0.00           H  
HETATM   67  H   UNL     1       5.971  -4.609  -0.918  1.00  0.00           H  
HETATM   68  H   UNL     1       4.958  -5.840  -0.126  1.00  0.00           H  
HETATM   69  H   UNL     1       7.350  -0.837  -2.405  1.00  0.00           H  
HETATM   70  H   UNL     1       7.380   0.724  -1.549  1.00  0.00           H  
HETATM   71  H   UNL     1       8.723  -0.299   0.267  1.00  0.00           H  
HETATM   72  H   UNL     1       8.693  -1.859  -0.589  1.00  0.00           H  
HETATM   73  H   UNL     1       9.541  -0.467  -1.305  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.259  -1.885   1.716  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   18    3                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3   20    5                                       
CONECT    5    4   74                                                 
CONECT    6    3   38   39    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   11                                            
CONECT    9    7   10   10                                            
CONECT   10    9    9   11   15                                       
CONECT   11   10    8   12                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12   40   16                                       
CONECT   14   12   41   42   43                                       
CONECT   15   10   16   16                                            
CONECT   16   13   15   15   17                                       
CONECT   17   16   44   45   46                                       
CONECT   18    2   19                                                 
CONECT   19   18   21   26   20                                       
CONECT   20    4   19   47   48                                       
CONECT   21   19   22   49   23                                       
CONECT   22   21   50   51   25                                       
CONECT   23   21   24   52   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24   22   56   57                                       
CONECT   26   19   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   35   62                                       
CONECT   30   28   31   31   63                                       
CONECT   31   30   30   34   32                                       
CONECT   32   31   33   64   65                                       
CONECT   33   32   66   67   68                                       
CONECT   34   31   35   35                                            
CONECT   35   29   34   34   36                                       
CONECT   36   35   69   70   37                                       
CONECT   37   36   71   72   73                                       
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74    5                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
