COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.052  -0.719   2.192  1.00  0.00           O  
HETATM    2  C   UNL     1       1.018  -1.355   1.801  1.00  0.00           C  
HETATM    3  C   UNL     1       2.253  -0.630   1.503  1.00  0.00           C  
HETATM    4  C   UNL     1       0.899  -2.839   1.652  1.00  0.00           C  
HETATM    5  C   UNL     1       2.190  -3.546   2.060  1.00  0.00           C  
HETATM    6  C   UNL     1       0.404  -3.295   0.297  1.00  0.00           C  
HETATM    7  C   UNL     1       0.933  -2.543  -0.912  1.00  0.00           C  
HETATM    8  C   UNL     1       2.452  -2.603  -1.003  1.00  0.00           C  
HETATM    9  C   UNL     1       0.400  -1.121  -0.978  1.00  0.00           C  
HETATM   10  C   UNL     1       1.015  -0.334  -2.136  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.112   0.219  -3.017  1.00  0.00           C  
HETATM   12  C   UNL     1       1.797   0.828  -1.565  1.00  0.00           C  
HETATM   13  O   UNL     1       1.387   1.953  -1.724  1.00  0.00           O  
HETATM   14  O   UNL     1       2.929   0.603  -0.886  1.00  0.00           O  
HETATM   15  C   UNL     1       3.563   1.720  -0.215  1.00  0.00           C  
HETATM   16  C   UNL     1       5.027   1.821  -0.649  1.00  0.00           C  
HETATM   17  C   UNL     1       5.095   2.157  -2.140  1.00  0.00           C  
HETATM   18  C   UNL     1       3.495   1.511   1.301  1.00  0.00           C  
HETATM   19  C   UNL     1       4.761   0.809   1.786  1.00  0.00           C  
HETATM   20  C   UNL     1       2.277   0.697   1.649  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.046  -1.160  -1.162  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.765  -0.190  -0.564  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.209   0.644   0.121  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.231  -0.141  -0.742  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.967   0.921  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.267   2.023   0.541  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.909   1.546   1.884  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.041   2.511   2.572  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.111   1.259   2.679  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.335   0.961  -0.382  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.979  -0.049  -1.075  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.256  -1.105  -1.601  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.887  -1.155  -1.444  1.00  0.00           C  
HETATM   34  H   UNL     1       3.131  -1.158   1.174  1.00  0.00           H  
HETATM   35  H   UNL     1       0.130  -3.162   2.396  1.00  0.00           H  
HETATM   36  H   UNL     1       1.392   1.203   2.018  1.00  0.00           H  
HETATM   37  H   UNL     1       2.414  -3.320   3.103  1.00  0.00           H  
HETATM   38  H   UNL     1       2.069  -4.622   1.939  1.00  0.00           H  
HETATM   39  H   UNL     1       3.009  -3.199   1.430  1.00  0.00           H  
HETATM   40  H   UNL     1       0.647  -4.365   0.176  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.698  -3.238   0.287  1.00  0.00           H  
HETATM   42  H   UNL     1       0.543  -3.072  -1.812  1.00  0.00           H  
HETATM   43  H   UNL     1       2.777  -3.643  -0.966  1.00  0.00           H  
HETATM   44  H   UNL     1       2.778  -2.154  -1.941  1.00  0.00           H  
HETATM   45  H   UNL     1       2.888  -2.057  -0.167  1.00  0.00           H  
HETATM   46  H   UNL     1       0.609  -0.582  -0.055  1.00  0.00           H  
HETATM   47  H   UNL     1       1.663  -0.952  -2.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.688   0.953  -2.453  1.00  0.00           H  
HETATM   49  H   UNL     1       0.316   0.694  -3.900  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.766  -0.597  -3.325  1.00  0.00           H  
HETATM   51  H   UNL     1       3.047   2.646  -0.470  1.00  0.00           H  
HETATM   52  H   UNL     1       5.523   2.605  -0.077  1.00  0.00           H  
HETATM   53  H   UNL     1       5.526   0.869  -0.468  1.00  0.00           H  
HETATM   54  H   UNL     1       3.420   2.488   1.787  1.00  0.00           H  
HETATM   55  H   UNL     1       6.138   2.229  -2.449  1.00  0.00           H  
HETATM   56  H   UNL     1       4.600   1.373  -2.713  1.00  0.00           H  
HETATM   57  H   UNL     1       4.597   3.109  -2.321  1.00  0.00           H  
HETATM   58  H   UNL     1       5.630   1.421   1.546  1.00  0.00           H  
HETATM   59  H   UNL     1       4.705   0.663   2.865  1.00  0.00           H  
HETATM   60  H   UNL     1       4.851  -0.159   1.293  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.323  -1.977  -1.859  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.363   2.312   0.006  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.931   2.883   0.627  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.905   1.782   0.026  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.561   3.464   2.666  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.791   2.133   3.563  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.127   2.652   1.995  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.650   0.423   2.233  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.820   1.003   3.697  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.754   2.139   2.695  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.050  -0.014  -1.205  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.765  -1.891  -2.141  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   20   20   34                                       
CONECT    4    2    5    6   35                                       
CONECT    5    4   37   38   39                                       
CONECT    6    4    7   40   41                                       
CONECT    7    6    8    9   42                                       
CONECT    8    7   43   44   45                                       
CONECT    9    7   10   21   46                                       
CONECT   10    9   11   12   47                                       
CONECT   11   10   48   49   50                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18   51                                       
CONECT   16   15   17   52   53                                       
CONECT   17   16   55   56   57                                       
CONECT   18   15   19   20   54                                       
CONECT   19   18   58   59   60                                       
CONECT   20    3    3   18   36                                       
CONECT   21    9   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   33   33                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   62   63                                       
CONECT   27   26   28   29                                            
CONECT   28   27   65   66   67                                       
CONECT   29   27   68   69   70                                       
CONECT   30   25   25   31   64                                       
CONECT   31   30   32   32   71                                       
CONECT   32   31   31   33   72                                       
CONECT   33   24   24   32   61                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36   20                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   33                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
