COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.990  -0.201  -0.293  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.892  -1.374  -0.567  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.751   0.629  -0.079  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.511  -0.249  -0.264  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.203   0.364  -0.186  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.253   0.594  -0.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.013  -0.284  -0.232  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.755   0.558  -0.014  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.515  -0.319  -0.200  1.00  0.00           C  
HETATM   10  C   UNL     1       0.744   0.523   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       1.983  -0.354  -0.168  1.00  0.00           C  
HETATM   12  C   UNL     1       3.242   0.488   0.050  1.00  0.00           C  
HETATM   13  C   UNL     1       4.481  -0.389  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       5.740   0.453   0.082  1.00  0.00           C  
HETATM   15  C   UNL     1       6.979  -0.424  -0.104  1.00  0.00           C  
HETATM   16  C   UNL     1       8.238   0.418   0.114  1.00  0.00           C  
HETATM   17  C   UNL     1       9.477  -0.460  -0.071  1.00  0.00           C  
HETATM   18  C   UNL     1      10.736   0.383   0.146  1.00  0.00           C  
HETATM   19  C   UNL     1      11.975  -0.495  -0.039  1.00  0.00           C  
HETATM   20  C   UNL     1      13.234   0.348   0.178  1.00  0.00           C  
HETATM   21  C   UNL     1      14.473  -0.530  -0.007  1.00  0.00           C  
HETATM   22  C   UNL     1      15.732   0.312   0.211  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.786  -1.125   0.913  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.504   0.336  -0.982  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.352  -0.494  -0.412  1.00  0.00           C  
HETATM   26  O   UNL     1     -11.245  -0.103   1.799  1.00  0.00           O  
HETATM   27  O   UNL     1     -11.931   1.291  -0.009  1.00  0.00           O  
HETATM   28  H   UNL     1      -6.730   1.444  -0.802  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.758   1.038   0.931  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.532  -1.064   0.458  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.504  -0.659  -1.275  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.232   1.409  -0.770  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.260   1.003   0.963  1.00  0.00           H  
HETATM   34  H   UNL     1     -10.086  -1.280  -1.119  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.034  -1.100   0.491  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.006  -0.694  -1.242  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.734   1.374  -0.737  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.762   0.968   0.996  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.536  -1.135   0.523  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.508  -0.729  -1.210  1.00  0.00           H  
HETATM   41  H   UNL     1       0.764   1.339  -0.705  1.00  0.00           H  
HETATM   42  H   UNL     1       0.736   0.933   1.028  1.00  0.00           H  
HETATM   43  H   UNL     1       1.962  -1.170   0.555  1.00  0.00           H  
HETATM   44  H   UNL     1       1.990  -0.764  -1.178  1.00  0.00           H  
HETATM   45  H   UNL     1       3.262   1.304  -0.673  1.00  0.00           H  
HETATM   46  H   UNL     1       3.234   0.898   1.060  1.00  0.00           H  
HETATM   47  H   UNL     1       4.460  -1.205   0.587  1.00  0.00           H  
HETATM   48  H   UNL     1       4.488  -0.799  -1.146  1.00  0.00           H  
HETATM   49  H   UNL     1       5.760   1.269  -0.641  1.00  0.00           H  
HETATM   50  H   UNL     1       5.732   0.863   1.092  1.00  0.00           H  
HETATM   51  H   UNL     1       6.958  -1.240   0.619  1.00  0.00           H  
HETATM   52  H   UNL     1       6.986  -0.834  -1.114  1.00  0.00           H  
HETATM   53  H   UNL     1       8.258   1.234  -0.609  1.00  0.00           H  
HETATM   54  H   UNL     1       8.230   0.828   1.124  1.00  0.00           H  
HETATM   55  H   UNL     1       9.456  -1.275   0.651  1.00  0.00           H  
HETATM   56  H   UNL     1       9.484  -0.869  -1.081  1.00  0.00           H  
HETATM   57  H   UNL     1      10.756   1.198  -0.576  1.00  0.00           H  
HETATM   58  H   UNL     1      10.728   0.793   1.156  1.00  0.00           H  
HETATM   59  H   UNL     1      11.954  -1.310   0.684  1.00  0.00           H  
HETATM   60  H   UNL     1      11.982  -0.904  -1.049  1.00  0.00           H  
HETATM   61  H   UNL     1      13.255   1.163  -0.544  1.00  0.00           H  
HETATM   62  H   UNL     1      13.226   0.757   1.189  1.00  0.00           H  
HETATM   63  H   UNL     1      14.452  -1.345   0.716  1.00  0.00           H  
HETATM   64  H   UNL     1      14.480  -0.939  -1.017  1.00  0.00           H  
HETATM   65  H   UNL     1      15.752   1.128  -0.512  1.00  0.00           H  
HETATM   66  H   UNL     1      15.724   0.722   1.221  1.00  0.00           H  
HETATM   67  H   UNL     1      16.615  -0.313   0.079  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.591  -1.836   0.730  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.939  -1.642   1.363  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.537  -0.431   2.661  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.660   1.854  -0.303  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.168   0.857  -1.879  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.336  -0.322  -1.235  1.00  0.00           H  
CONECT    1    2    2    3    5                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   28   29                                       
CONECT    4    3    6   30   31                                       
CONECT    5    1   25                                                 
CONECT    6    4    7   32   33                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   65   66   67                                       
CONECT   23   26   25   68   69                                       
CONECT   24   27   25   72   73                                       
CONECT   25    5   23   24   34                                       
CONECT   26   23   70                                                 
CONECT   27   24   71                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34   25                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
