COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.670   2.608  -0.434  1.00  0.00           C  
HETATM    2  O   UNL     1       3.802   2.912   0.660  1.00  0.00           O  
HETATM    3  C   UNL     1       6.116   2.519   0.065  1.00  0.00           C  
HETATM    4  C   UNL     1       6.245   1.385   1.084  1.00  0.00           C  
HETATM    5  O   UNL     1       7.556   1.403   1.651  1.00  0.00           O  
HETATM    6  C   UNL     1       6.006   0.038   0.394  1.00  0.00           C  
HETATM    7  C   UNL     1       4.633   0.066  -0.246  1.00  0.00           C  
HETATM    8  C   UNL     1       3.766  -0.959  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1       2.447  -0.895  -0.739  1.00  0.00           C  
HETATM   10  C   UNL     1       1.592  -1.907  -0.600  1.00  0.00           C  
HETATM   11  C   UNL     1       1.928  -3.154   0.205  1.00  0.00           C  
HETATM   12  C   UNL     1       4.288   1.269  -1.032  1.00  0.00           C  
HETATM   13  C   UNL     1       0.813  -3.472   1.200  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.572  -3.444   0.533  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.772  -2.063  -0.046  1.00  0.00           C  
HETATM   16  C   UNL     1       0.226  -1.896  -1.220  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.245  -0.570  -1.821  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.793  -0.707  -1.786  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.114  -1.733  -0.680  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.462  -1.016   1.026  1.00  0.00           C  
HETATM   21  C   UNL     1       3.671   1.181  -2.210  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.050  -1.105   0.354  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.398  -2.143   1.424  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.248  -0.666  -0.291  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.862   0.465   0.330  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.128   0.845  -0.441  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.785   2.056   0.224  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.809   3.235   0.215  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.051   2.436  -0.547  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.128   1.732   1.573  1.00  0.00           O  
HETATM   31  H   UNL     1       4.591   3.386  -1.193  1.00  0.00           H  
HETATM   32  H   UNL     1       2.870   2.983   0.414  1.00  0.00           H  
HETATM   33  H   UNL     1       6.779   2.325  -0.779  1.00  0.00           H  
HETATM   34  H   UNL     1       6.397   3.462   0.535  1.00  0.00           H  
HETATM   35  H   UNL     1       5.506   1.523   1.873  1.00  0.00           H  
HETATM   36  H   UNL     1       7.709   0.710   2.308  1.00  0.00           H  
HETATM   37  H   UNL     1       6.765  -0.121  -0.372  1.00  0.00           H  
HETATM   38  H   UNL     1       6.053  -0.764   1.130  1.00  0.00           H  
HETATM   39  H   UNL     1       4.045  -1.826   0.475  1.00  0.00           H  
HETATM   40  H   UNL     1       2.169  -0.028  -1.319  1.00  0.00           H  
HETATM   41  H   UNL     1       2.053  -3.997  -0.474  1.00  0.00           H  
HETATM   42  H   UNL     1       2.858  -2.991   0.749  1.00  0.00           H  
HETATM   43  H   UNL     1       0.984  -4.463   1.622  1.00  0.00           H  
HETATM   44  H   UNL     1       0.834  -2.737   2.004  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.615  -4.188  -0.263  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.344  -3.650   1.274  1.00  0.00           H  
HETATM   47  H   UNL     1       0.121  -2.711  -1.936  1.00  0.00           H  
HETATM   48  H   UNL     1       0.083   0.270  -1.208  1.00  0.00           H  
HETATM   49  H   UNL     1       0.110  -0.462  -2.846  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.249   0.256  -1.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.158  -1.074  -2.744  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.564  -2.631  -1.104  1.00  0.00           H  
HETATM   53  H   UNL     1       0.597  -1.058   1.279  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.707  -0.024   0.646  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.056  -1.221   1.916  1.00  0.00           H  
HETATM   56  H   UNL     1       3.431   2.077  -2.763  1.00  0.00           H  
HETATM   57  H   UNL     1       3.411   0.213  -2.612  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.557  -0.253   0.822  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.500  -2.404   1.982  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.141  -1.728   2.105  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.802  -3.036   0.946  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.123   0.217   1.359  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.167   1.304   0.323  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.866   1.092  -1.470  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.823   0.005  -0.434  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.548   3.482  -0.814  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.278   4.097   0.688  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.907   2.964   0.764  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.746   1.596  -0.540  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.519   3.299  -0.073  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.790   2.683  -1.576  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.745   0.991   1.655  1.00  0.00           H  
CONECT    1    2    3   12   31                                       
CONECT    2    1   32                                                 
CONECT    3    1    4   33   34                                       
CONECT    4    3    5    6   35                                       
CONECT    5    4   36                                                 
CONECT    6    4    7   37   38                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   16                                       
CONECT   11   10   13   41   42                                       
CONECT   12    1    7   21   21                                       
CONECT   13   11   14   43   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14   16   19   20                                       
CONECT   16   10   15   17   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   17   19   50   51                                       
CONECT   19   15   18   22   52                                       
CONECT   20   15   53   54   55                                       
CONECT   21   12   12   56   57                                       
CONECT   22   19   23   24   58                                       
CONECT   23   22   59   60   61                                       
CONECT   24   22   25                                                 
CONECT   25   24   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   29   30                                       
CONECT   28   27   66   67   68                                       
CONECT   29   27   69   70   71                                       
CONECT   30   27   72                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
