COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.137   2.601   0.785  1.00  0.00           C  
HETATM    2  C   UNL     1       0.125   1.277   0.115  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.381   1.031  -0.955  1.00  0.00           O  
HETATM    4  O   UNL     1       0.919   0.371   0.705  1.00  0.00           O  
HETATM    5  C   UNL     1       1.126  -0.882   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       0.054  -1.888   0.426  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.229  -1.424   0.002  1.00  0.00           O  
HETATM    8  P   UNL     1      -2.591  -2.236   0.280  1.00  0.00           P  
HETATM    9  O   UNL     1      -2.719  -2.503   1.730  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.557  -3.632  -0.522  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.848  -1.362  -0.218  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.204  -1.764  -0.015  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.142  -0.710  -0.607  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.998   0.515   0.114  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.589  -1.197  -0.501  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.454  -0.268  -1.158  1.00  0.00           O  
HETATM   17  C   UNL     1       2.510  -1.437   0.345  1.00  0.00           C  
HETATM   18  O   UNL     1       3.532  -0.538  -0.163  1.00  0.00           O  
HETATM   19  C   UNL     1       4.810  -0.882   0.057  1.00  0.00           C  
HETATM   20  C   UNL     1       5.924   0.002  -0.441  1.00  0.00           C  
HETATM   21  O   UNL     1       5.068  -1.901   0.653  1.00  0.00           O  
HETATM   22  H   UNL     1      -0.606   2.431   1.754  1.00  0.00           H  
HETATM   23  H   UNL     1       0.806   3.130   0.926  1.00  0.00           H  
HETATM   24  H   UNL     1       1.059  -0.711  -1.072  1.00  0.00           H  
HETATM   25  H   UNL     1       0.261  -2.855  -0.033  1.00  0.00           H  
HETATM   26  H   UNL     1       0.062  -1.992   1.511  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.474  -3.533  -1.480  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.377  -2.721  -0.506  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.398  -1.863   1.053  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.890  -0.546  -1.655  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.207   0.444   1.056  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.678  -2.175  -0.975  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.870  -1.276   0.549  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.388  -0.514  -1.130  1.00  0.00           H  
HETATM   35  H   UNL     1       2.609  -1.524   1.427  1.00  0.00           H  
HETATM   36  H   UNL     1       2.632  -2.419  -0.111  1.00  0.00           H  
HETATM   37  H   UNL     1       5.859   0.093  -1.525  1.00  0.00           H  
HETATM   38  H   UNL     1       5.836   0.988   0.013  1.00  0.00           H  
HETATM   39  C   UNL     1      -1.066   3.442  -0.092  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.332   4.786   0.589  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.262   5.628  -0.288  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.527   6.972   0.393  1.00  0.00           C  
HETATM   43  C   UNL     1       7.273  -0.615  -0.063  1.00  0.00           C  
HETATM   44  C   UNL     1       8.404   0.282  -0.568  1.00  0.00           C  
HETATM   45  C   UNL     1       9.752  -0.334  -0.189  1.00  0.00           C  
HETATM   46  C   UNL     1      10.883   0.563  -0.695  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.597   3.612  -1.061  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.009   2.914  -0.233  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.801   4.617   1.558  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.389   5.315   0.730  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.792   5.797  -1.257  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.204   5.099  -0.429  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.997   6.802   1.362  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.584   7.500   0.534  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.189   7.571  -0.232  1.00  0.00           H  
HETATM   56  H   UNL     1       7.338  -0.707   1.021  1.00  0.00           H  
HETATM   57  H   UNL     1       7.361  -1.602  -0.517  1.00  0.00           H  
HETATM   58  H   UNL     1       8.338   0.374  -1.652  1.00  0.00           H  
HETATM   59  H   UNL     1       8.315   1.269  -0.114  1.00  0.00           H  
HETATM   60  H   UNL     1       9.818  -0.426   0.895  1.00  0.00           H  
HETATM   61  H   UNL     1       9.841  -1.321  -0.644  1.00  0.00           H  
HETATM   62  H   UNL     1      10.818   0.655  -1.779  1.00  0.00           H  
HETATM   63  H   UNL     1      10.795   1.550  -0.240  1.00  0.00           H  
HETATM   64  H   UNL     1      11.844   0.124  -0.425  1.00  0.00           H  
CONECT    1    2   22   23   39                                       
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2                                                 
CONECT    5    6   17    4   24                                       
CONECT    6    5    7   25   26                                       
CONECT    7    6    8                                                 
CONECT    8    9    9   11    7                                       
CONECT    8   10                                                      
CONECT    9    8    8                                                 
CONECT   10    8   27                                                 
CONECT   11   12    8                                                 
CONECT   12   13   11   28   29                                       
CONECT   13   15   14   12   30                                       
CONECT   14   13   31                                                 
CONECT   15   16   13   32   33                                       
CONECT   16   15   34                                                 
CONECT   17    5   18   35   36                                       
CONECT   18   17   19                                                 
CONECT   19   21   21   18   20                                       
CONECT   20   19   37   38   43                                       
CONECT   21   19   19                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39    1   40   47   48                                       
CONECT   40   39   41   49   50                                       
CONECT   41   40   42   51   52                                       
CONECT   42   41   53   54   55                                       
CONECT   43   20   44   56   57                                       
CONECT   44   43   45   58   59                                       
CONECT   45   44   46   60   61                                       
CONECT   46   45   62   63   64                                       
CONECT   47   39                                                      
CONECT   48   39                                                      
CONECT   49   40                                                      
CONECT   50   40                                                      
CONECT   51   41                                                      
CONECT   52   41                                                      
CONECT   53   42                                                      
CONECT   54   42                                                      
CONECT   55   42                                                      
CONECT   56   43                                                      
CONECT   57   43                                                      
CONECT   58   44                                                      
CONECT   59   44                                                      
CONECT   60   45                                                      
CONECT   61   45                                                      
CONECT   62   46                                                      
CONECT   63   46                                                      
CONECT   64   46                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
