COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.219   4.196  -0.736  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.151  -3.466  -0.751  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.073   2.092  -1.601  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.453   2.000  -1.604  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.071   0.808  -1.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.303  -0.306  -0.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.908  -0.210  -0.951  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.052  -2.435  -0.267  1.00  0.00           C  
HETATM    9  C   UNL     1       3.523  -2.349  -1.470  1.00  0.00           C  
HETATM   10  C   UNL     1       3.473  -1.677   0.846  1.00  0.00           C  
HETATM   11  C   UNL     1       5.663  -1.749  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1       8.452  -1.448  -0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       7.656  -0.409   0.110  1.00  0.00           C  
HETATM   14  C   UNL     1       8.210   0.794   0.586  1.00  0.00           C  
HETATM   15  C   UNL     1       5.472   0.497   0.650  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.301   0.990  -1.282  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.713  -2.361  -1.427  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.537   6.539   2.350  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.725   5.740   1.132  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.151   4.372   1.460  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.259   3.552   0.172  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.793   5.563  -1.064  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.685   6.384   0.224  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.408   3.397  -1.955  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.962  -1.588  -0.605  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.926  -2.269   0.697  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.340  -1.999   1.929  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.501  -2.834   2.936  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.212  -3.944   2.824  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.827  -4.288   1.641  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.692  -3.442   0.541  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.150  -1.292  -0.631  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.732  -1.119  -0.651  1.00  0.00           C  
HETATM   34  C   UNL     1       1.444  -2.253  -0.287  1.00  0.00           C  
HETATM   35  C   UNL     1       2.103  -1.845   0.859  1.00  0.00           C  
HETATM   36  C   UNL     1       4.193  -1.928  -0.322  1.00  0.00           C  
HETATM   37  C   UNL     1       2.153  -2.510  -1.447  1.00  0.00           C  
HETATM   38  C   UNL     1       6.246  -0.554   0.140  1.00  0.00           C  
HETATM   39  N   UNL     1       6.057   1.589   1.087  1.00  0.00           N  
HETATM   40  C   UNL     1       7.372   1.756   1.062  1.00  0.00           C  
HETATM   41  C   UNL     1       7.866  -2.594  -0.844  1.00  0.00           C  
HETATM   42  C   UNL     1       6.485  -2.752  -0.827  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.709  -4.164  -1.129  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.049   2.864  -1.859  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.149   0.740  -1.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.369  -2.729   0.734  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.334  -3.211  -0.979  1.00  0.00           H  
HETATM   48  H   UNL     1       4.076  -2.545  -2.377  1.00  0.00           H  
HETATM   49  H   UNL     1       3.986  -1.350   1.738  1.00  0.00           H  
HETATM   50  H   UNL     1       9.526  -1.340  -0.429  1.00  0.00           H  
HETATM   51  H   UNL     1       9.279   0.950   0.574  1.00  0.00           H  
HETATM   52  H   UNL     1       4.397   0.406   0.691  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.224   1.068  -1.281  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.933  -2.138  -2.461  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.491   6.644   2.867  1.00  0.00           H  
HETATM   56  H   UNL     1       0.178   6.040   3.005  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.157   7.525   2.083  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.418   3.912   2.123  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.122   4.402   1.955  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.603   2.545   0.410  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.282   3.499  -0.309  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.822   5.534  -1.559  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.526   6.023  -1.728  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.662   6.436   0.705  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.342   7.390  -0.014  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.035   3.947  -2.656  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.439   3.198  -2.413  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.751  -1.104   2.061  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.313  -4.595   3.680  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.405  -5.197   1.566  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.450  -0.344   0.062  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.415  -0.825  -1.651  1.00  0.00           H  
HETATM   73  H   UNL     1       1.546  -1.659   1.764  1.00  0.00           H  
HETATM   74  H   UNL     1       1.633  -2.836  -2.335  1.00  0.00           H  
HETATM   75  H   UNL     1       7.791   2.678   1.437  1.00  0.00           H  
HETATM   76  H   UNL     1       8.486  -3.389  -1.231  1.00  0.00           H  
HETATM   77  H   UNL     1       6.048  -3.668  -1.196  1.00  0.00           H  
CONECT    1   21   24   22                                            
CONECT    2   17   31   43                                            
CONECT    3    4    4   16   24                                       
CONECT    4    5    3    3   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6   25    5    5    7                                       
CONECT    7    6   32   16   16                                       
CONECT    8   34   33   46   47                                       
CONECT    9   37   37   36   48                                       
CONECT   10   36   36   35   49                                       
CONECT   11   36   42   42   38                                       
CONECT   12   41   41   13   50                                       
CONECT   13   38   12   14   14                                       
CONECT   14   13   13   40   51                                       
CONECT   15   38   38   39   52                                       
CONECT   16    7    7    3   53                                       
CONECT   17    2   25   25   54                                       
CONECT   18   19   55   56   57                                       
CONECT   19   20   18   23                                            
CONECT   20   21   19   58   59                                       
CONECT   21   20    1   60   61                                       
CONECT   22    1   23   62   63                                       
CONECT   23   19   22   64   65                                       
CONECT   24    3    1   66   67                                       
CONECT   25   17   17   26    6                                       
CONECT   26   31   25   27   27                                       
CONECT   27   26   26   28   68                                       
CONECT   28   29   29   27                                            
CONECT   29   30   28   28   69                                       
CONECT   30   31   31   29   70                                       
CONECT   31    2   30   30   26                                       
CONECT   32    7   33                                                 
CONECT   33   32    8   71   72                                       
CONECT   34   37    8   35   35                                       
CONECT   35   34   34   10   73                                       
CONECT   36    9   11   10   10                                       
CONECT   37    9    9   34   74                                       
CONECT   38   11   15   15   13                                       
CONECT   39   15   40   40                                            
CONECT   40   39   39   14   75                                       
CONECT   41   42   12   12   76                                       
CONECT   42   11   11   41   77                                       
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
