COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.289  -3.118  -0.824  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.239  -2.210  -0.021  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.345  -1.853   0.662  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.618  -2.554   0.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.699  -1.521   0.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.299  -0.759   1.642  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.391   0.258   1.298  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.745  -0.462   1.215  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.801   0.515   0.918  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.133  -0.089   1.065  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.203   0.979   0.825  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.031   1.548  -0.519  1.00  0.00           N  
HETATM   13  C   UNL     1      -9.087   2.525  -0.816  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.026   2.908  -2.296  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.699   2.152  -0.665  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.629   1.084  -0.426  1.00  0.00           C  
HETATM   17  C   UNL     1       0.060  -1.485   0.217  1.00  0.00           C  
HETATM   18  O   UNL     1       1.078  -2.047  -0.614  1.00  0.00           O  
HETATM   19  C   UNL     1       2.320  -1.503  -0.521  1.00  0.00           C  
HETATM   20  C   UNL     1       2.553  -0.455   0.358  1.00  0.00           C  
HETATM   21  C   UNL     1       3.813   0.098   0.455  1.00  0.00           C  
HETATM   22  C   UNL     1       4.852  -0.396  -0.331  1.00  0.00           C  
HETATM   23  C   UNL     1       6.209   0.196  -0.228  1.00  0.00           C  
HETATM   24  C   UNL     1       4.615  -1.449  -1.212  1.00  0.00           C  
HETATM   25  C   UNL     1       3.355  -2.002  -1.301  1.00  0.00           C  
HETATM   26  H   UNL     1      -3.513  -3.253  -0.384  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.896  -3.095   1.349  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.465  -1.044  -0.840  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.667  -2.017   0.042  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.471  -1.157   2.642  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.323  -0.274   1.603  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.431   1.025   2.071  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.168   0.721   0.337  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.956  -0.947   2.168  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.250  -0.891   0.337  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.240  -0.492   2.072  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.192   0.527   0.905  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.103   1.768   1.570  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.060   2.086  -0.594  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.942   3.415  -0.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.053   3.346  -2.517  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.171   2.018  -2.908  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.810   3.633  -2.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.591   2.555  -1.672  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.582   2.955   0.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.640   1.536  -0.505  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.729   0.295  -1.171  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.063  -0.429  -0.023  1.00  0.00           H  
HETATM   49  H   UNL     1       0.348  -1.589   1.263  1.00  0.00           H  
HETATM   50  H   UNL     1       1.748  -0.071   0.966  1.00  0.00           H  
HETATM   51  H   UNL     1       3.994   0.915   1.139  1.00  0.00           H  
HETATM   52  H   UNL     1       5.419  -1.835  -1.823  1.00  0.00           H  
HETATM   53  H   UNL     1       3.171  -2.821  -1.981  1.00  0.00           H  
HETATM   54  C   UNL     1       7.248  -0.299  -1.014  1.00  0.00           C  
HETATM   55  C   UNL     1       8.508   0.254  -0.917  1.00  0.00           C  
HETATM   56  C   UNL     1       8.741   1.302  -0.037  1.00  0.00           C  
HETATM   57  C   UNL     1       7.708   1.797   0.747  1.00  0.00           C  
HETATM   58  C   UNL     1       6.445   1.253   0.650  1.00  0.00           C  
HETATM   59  O   UNL     1       9.983   1.845   0.057  1.00  0.00           O  
HETATM   60  C   UNL     1      10.153   2.921   0.982  1.00  0.00           C  
HETATM   61  H   UNL     1       7.067  -1.115  -1.698  1.00  0.00           H  
HETATM   62  H   UNL     1       9.314  -0.130  -1.525  1.00  0.00           H  
HETATM   63  H   UNL     1       7.893   2.612   1.431  1.00  0.00           H  
HETATM   64  H   UNL     1       5.641   1.638   1.260  1.00  0.00           H  
HETATM   65  H   UNL     1       9.494   3.744   0.706  1.00  0.00           H  
HETATM   66  H   UNL     1       9.907   2.578   1.987  1.00  0.00           H  
HETATM   67  H   UNL     1      11.189   3.261   0.957  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   17    3                                       
CONECT    3    2    6    4                                            
CONECT    4    3    5   26   27                                       
CONECT    5    4    8   28   29                                       
CONECT    6    3    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    5    9   34                                       
CONECT    9    8   16   10                                            
CONECT   10    9   11   35   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   15   11   13                                            
CONECT   13   12   14   39   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   16   12   44   45                                       
CONECT   16    9   15   46   47                                       
CONECT   17   18    2   48   49                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   25   25                                       
CONECT   20   21   21   19   50                                       
CONECT   21   20   20   22   51                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   54   58   58                                       
CONECT   24   22   22   25   52                                       
CONECT   25   19   19   24   53                                       
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   23   55   55   61                                       
CONECT   55   54   54   56   62                                       
CONECT   56   55   57   57   59                                       
CONECT   57   56   56   58   63                                       
CONECT   58   57   23   23   64                                       
CONECT   59   56   60                                                 
CONECT   60   59   65   66   67                                       
CONECT   61   54                                                      
CONECT   62   55                                                      
CONECT   63   57                                                      
CONECT   64   58                                                      
CONECT   65   60                                                      
CONECT   66   60                                                      
CONECT   67   60                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
