COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.524  -3.076   0.087  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.931  -2.025  -0.055  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.620  -0.884  -0.259  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.084  -0.912  -0.308  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.785   0.203  -1.087  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.837   0.188   0.442  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.457  -1.996   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.743  -3.179   0.218  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.379  -3.152   0.270  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.696  -1.942   0.106  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.411  -0.759  -0.111  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.774  -0.787  -0.169  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.223  -1.913   0.163  1.00  0.00           C  
HETATM   14  C   UNL     1       0.620  -3.003   0.268  1.00  0.00           C  
HETATM   15  N   UNL     1       1.870  -2.557   0.289  1.00  0.00           N  
HETATM   16  C   UNL     1       1.870  -1.232   0.203  1.00  0.00           C  
HETATM   17  N   UNL     1       0.577  -0.800   0.117  1.00  0.00           N  
HETATM   18  N   UNL     1       0.294   0.565   0.009  1.00  0.00           N  
HETATM   19  C   UNL     1       1.260   1.455  -0.015  1.00  0.00           C  
HETATM   20  N   UNL     1       0.948   2.807  -0.122  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.452   3.230  -0.208  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.532   4.583  -0.918  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.994   5.026  -1.008  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.575   5.154   0.401  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.495   3.801   1.111  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.033   3.359   1.201  1.00  0.00           C  
HETATM   27  C   UNL     1       2.604   1.058   0.068  1.00  0.00           C  
HETATM   28  C   UNL     1       2.918  -0.279   0.183  1.00  0.00           C  
HETATM   29  N   UNL     1       4.245  -0.688   0.262  1.00  0.00           N  
HETATM   30  C   UNL     1       5.320   0.306   0.241  1.00  0.00           C  
HETATM   31  C   UNL     1       6.673  -0.403   0.341  1.00  0.00           C  
HETATM   32  C   UNL     1       6.898  -1.256  -0.912  1.00  0.00           C  
HETATM   33  C   UNL     1       8.286  -1.898  -0.839  1.00  0.00           C  
HETATM   34  O   UNL     1       9.276  -0.876  -0.713  1.00  0.00           O  
HETATM   35  C   UNL     1       9.144  -0.077   0.464  1.00  0.00           C  
HETATM   36  C   UNL     1       7.791   0.638   0.444  1.00  0.00           C  
HETATM   37  H   UNL     1      -6.146  -0.045  -0.372  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.535  -1.904  -0.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.158   0.956  -1.563  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.698  -0.056  -1.624  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.783  -0.080   0.912  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.243   0.932   0.973  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.270  -4.113   0.344  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.827  -4.065   0.438  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.884   0.175  -0.238  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.326   0.125  -0.341  1.00  0.00           H  
HETATM   47  H   UNL     1       0.315  -4.037   0.323  1.00  0.00           H  
HETATM   48  H   UNL     1       1.657   3.468  -0.141  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.021   2.490  -0.770  1.00  0.00           H  
HETATM   50  H   UNL     1       0.038   5.323  -0.356  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.118   4.492  -1.923  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.051   5.990  -1.514  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.564   4.286  -1.570  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.006   5.894   0.963  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.617   5.470   0.337  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.909   3.893   2.115  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.065   3.062   0.549  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.976   2.395   1.707  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.463   4.099   1.763  1.00  0.00           H  
HETATM   60  H   UNL     1       3.390   1.798   0.047  1.00  0.00           H  
HETATM   61  H   UNL     1       4.458  -1.632   0.332  1.00  0.00           H  
HETATM   62  H   UNL     1       5.274   0.871  -0.691  1.00  0.00           H  
HETATM   63  H   UNL     1       5.204   0.986   1.084  1.00  0.00           H  
HETATM   64  H   UNL     1       6.685  -1.041   1.224  1.00  0.00           H  
HETATM   65  H   UNL     1       6.138  -2.035  -0.964  1.00  0.00           H  
HETATM   66  H   UNL     1       6.835  -0.625  -1.798  1.00  0.00           H  
HETATM   67  H   UNL     1       8.335  -2.561   0.025  1.00  0.00           H  
HETATM   68  H   UNL     1       8.469  -2.472  -1.748  1.00  0.00           H  
HETATM   69  H   UNL     1       9.204  -0.716   1.345  1.00  0.00           H  
HETATM   70  H   UNL     1       9.946   0.661   0.495  1.00  0.00           H  
HETATM   71  H   UNL     1       7.746   1.308  -0.415  1.00  0.00           H  
HETATM   72  H   UNL     1       7.669   1.214   1.362  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    7                                       
CONECT    3    4    2   37                                            
CONECT    4    6    5    3   38                                       
CONECT    5    6    4   39   40                                       
CONECT    6    5    4   41   42                                       
CONECT    7    2    8    8   12                                       
CONECT    8    7    7    9   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   13                                       
CONECT   11   12   12   10   45                                       
CONECT   12    7   11   11   46                                       
CONECT   13   10   17   14   14                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16                                            
CONECT   16   17   15   15   28                                       
CONECT   17   13   18   16                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   27                                       
CONECT   20   21   19   48                                            
CONECT   21   26   22   20   49                                       
CONECT   22   23   21   50   51                                       
CONECT   23   24   22   52   53                                       
CONECT   24   25   23   54   55                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   21   58   59                                       
CONECT   27   19   28   28   60                                       
CONECT   28   16   27   27   29                                       
CONECT   29   28   30   61                                            
CONECT   30   29   31   62   63                                       
CONECT   31   30   36   32   64                                       
CONECT   32   31   33   65   66                                       
CONECT   33   32   34   67   68                                       
CONECT   34   35   33                                                 
CONECT   35   36   34   69   70                                       
CONECT   36   31   35   71   72                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
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   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
