COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.261  -0.157  -0.595  1.00  0.00           C  
HETATM    2  N   UNL     1       0.142  -1.409  -0.329  1.00  0.00           N  
HETATM    3  C   UNL     1       1.515  -1.328  -0.409  1.00  0.00           C  
HETATM    4  C   UNL     1       2.032  -2.618  -0.271  1.00  0.00           C  
HETATM    5  C   UNL     1       0.966  -3.482  -0.108  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.204  -2.724  -0.145  1.00  0.00           C  
HETATM    7  C   UNL     1       1.052  -4.975   0.077  1.00  0.00           C  
HETATM    8  C   UNL     1       3.490  -2.999  -0.297  1.00  0.00           C  
HETATM    9  C   UNL     1       4.056  -2.947   1.124  1.00  0.00           C  
HETATM   10  C   UNL     1       5.514  -3.328   1.098  1.00  0.00           C  
HETATM   11  O   UNL     1       6.221  -3.352   2.238  1.00  0.00           O  
HETATM   12  O   UNL     1       6.045  -3.612   0.051  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.515  -3.222  -0.010  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.483  -1.385  -1.334  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.581  -2.514  -0.532  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.940  -2.821  -0.337  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.682  -1.875  -1.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.720  -0.962  -1.656  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.487  -3.969   0.471  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.993   0.006  -2.343  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.150  -1.799  -1.103  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.728  -0.856  -1.842  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.015   1.133   1.223  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.147   0.642   1.748  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.141   1.771   1.897  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.410   2.993   1.375  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.085   2.493   0.975  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.391   1.495   1.058  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.341  -0.515   2.055  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.866   4.242   1.295  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.985   5.332   0.743  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.085   3.249   0.446  1.00  0.00           C  
HETATM   33  N   UNL     1       0.405   1.310   0.009  1.00  0.00           N  
HETATM   34  C   UNL     1       0.162   2.616   0.018  1.00  0.00           C  
HETATM   35  C   UNL     1       1.313   3.294  -0.456  1.00  0.00           C  
HETATM   36  C   UNL     1       2.241   2.347  -0.745  1.00  0.00           C  
HETATM   37  C   UNL     1       1.652   1.091  -0.445  1.00  0.00           C  
HETATM   38  C   UNL     1       1.475   4.785  -0.611  1.00  0.00           C  
HETATM   39  C   UNL     1       3.630   2.583  -1.282  1.00  0.00           C  
HETATM   40  C   UNL     1       4.625   2.624  -0.120  1.00  0.00           C  
HETATM   41  C   UNL     1       6.013   2.860  -0.656  1.00  0.00           C  
HETATM   42  O   UNL     1       7.055   2.934   0.187  1.00  0.00           O  
HETATM   43  O   UNL     1       6.189   2.984  -1.845  1.00  0.00           O  
HETATM   44  H   UNL     1       3.309  -0.219  -0.851  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.475  -0.663  -0.389  1.00  0.00           H  
HETATM   46  H   UNL     1       1.124  -5.206   1.140  1.00  0.00           H  
HETATM   47  H   UNL     1       0.160  -5.445  -0.337  1.00  0.00           H  
HETATM   48  H   UNL     1       1.935  -5.354  -0.438  1.00  0.00           H  
HETATM   49  H   UNL     1       3.595  -4.009  -0.693  1.00  0.00           H  
HETATM   50  H   UNL     1       4.037  -2.301  -0.932  1.00  0.00           H  
HETATM   51  H   UNL     1       3.951  -1.937   1.520  1.00  0.00           H  
HETATM   52  H   UNL     1       3.509  -3.644   1.758  1.00  0.00           H  
HETATM   53  H   UNL     1       7.153  -3.602   2.172  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.688  -4.158   0.501  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.634  -3.650   1.503  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.441  -4.287   0.050  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.783  -4.800   0.444  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.758  -2.509  -0.562  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.802  -0.742  -1.828  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.123  -0.204  -2.454  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.230   0.593   1.039  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.409   1.907   2.944  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.903   0.615   1.448  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.059   2.355   1.107  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.102   1.319   0.022  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.868   4.473   1.626  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.526   6.279   0.756  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.087   5.419   1.355  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.704   5.089  -0.282  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.213   4.316   0.342  1.00  0.00           H  
HETATM   71  H   UNL     1       0.558   5.284  -0.298  1.00  0.00           H  
HETATM   72  H   UNL     1       2.305   5.126   0.008  1.00  0.00           H  
HETATM   73  H   UNL     1       1.679   5.021  -1.655  1.00  0.00           H  
HETATM   74  H   UNL     1       3.898   1.776  -1.962  1.00  0.00           H  
HETATM   75  H   UNL     1       3.656   3.533  -1.816  1.00  0.00           H  
HETATM   76  H   UNL     1       4.356   3.432   0.561  1.00  0.00           H  
HETATM   77  H   UNL     1       4.598   1.674   0.414  1.00  0.00           H  
HETATM   78  H   UNL     1       7.926   3.087  -0.204  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.654  -0.965  -1.614  1.00  0.00           H  
CONECT    1   37   37    3   44                                       
CONECT    2    3    6   45                                            
CONECT    3    1    4    4    2                                       
CONECT    4    8    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    2   13                                       
CONECT    7    5   46   47   48                                       
CONECT    8    9    4   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   12   12   11    9                                       
CONECT   11   10   53                                                 
CONECT   12   10   10                                                 
CONECT   13    6   15   15   54                                       
CONECT   14   15   18   79                                            
CONECT   15   13   13   14   16                                       
CONECT   16   15   19   17   17                                       
CONECT   17   16   16   18   21                                       
CONECT   18   14   17   20   20                                       
CONECT   19   16   55   56   57                                       
CONECT   20   18   18                                                 
CONECT   21   17   22   22   58                                       
CONECT   22   21   21   59   60                                       
CONECT   23   27   24   61                                            
CONECT   24   23   29   29   25                                       
CONECT   25   28   24   26   62                                       
CONECT   26   27   30   30   25                                       
CONECT   27   32   32   23   26                                       
CONECT   28   25   63   64   65                                       
CONECT   29   24   24                                                 
CONECT   30   26   26   31   66                                       
CONECT   31   30   67   68   69                                       
CONECT   32   34   27   27   70                                       
CONECT   33   37   34   34                                            
CONECT   34   35   33   33   32                                       
CONECT   35   38   36   36   34                                       
CONECT   36   39   35   35   37                                       
CONECT   37   36    1    1   33                                       
CONECT   38   35   71   72   73                                       
CONECT   39   40   36   74   75                                       
CONECT   40   41   39   76   77                                       
CONECT   41   43   43   42   40                                       
CONECT   42   41   78                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   14                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
