COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.523   2.394  -2.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.370   1.427  -1.377  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.761   0.410  -0.710  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.378   0.349  -0.652  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.525  -0.568  -0.080  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.882  -0.509  -0.130  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.899  -1.602   0.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.518  -1.660   0.647  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.760  -0.686   0.026  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.255  -0.751   0.088  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.762   0.012   1.320  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.251  -0.695   2.586  1.00  0.00           C  
HETATM   13  C   UNL     1       0.767   0.052   1.316  1.00  0.00           C  
HETATM   14  C   UNL     1       1.260   0.814   2.548  1.00  0.00           C  
HETATM   15  C   UNL     1       1.255   0.759   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1       2.760   0.691  -0.014  1.00  0.00           C  
HETATM   17  C   UNL     1       3.375  -0.373  -0.648  1.00  0.00           C  
HETATM   18  C   UNL     1       3.520   1.695   0.555  1.00  0.00           C  
HETATM   19  C   UNL     1       4.901   1.637   0.498  1.00  0.00           C  
HETATM   20  C   UNL     1       5.524   0.571  -0.130  1.00  0.00           C  
HETATM   21  O   UNL     1       6.882   0.513  -0.186  1.00  0.00           O  
HETATM   22  C   UNL     1       4.758  -0.437  -0.708  1.00  0.00           C  
HETATM   23  O   UNL     1       5.365  -1.485  -1.327  1.00  0.00           O  
HETATM   24  C   UNL     1       4.516  -2.482  -1.898  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.900   2.872  -1.243  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.888   1.901  -2.735  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.135   3.148  -2.495  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.783   1.109  -1.137  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.269  -0.974  -0.885  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.489  -2.362   1.088  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.032  -2.466   1.176  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.939  -1.792   0.155  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.835  -0.300  -0.810  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.153   1.029   1.298  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.341  -0.724   2.589  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.860  -1.712   2.608  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.900  -0.152   3.464  1.00  0.00           H  
HETATM   38  H   UNL     1       1.158  -0.965   1.338  1.00  0.00           H  
HETATM   39  H   UNL     1       0.912   0.311   3.450  1.00  0.00           H  
HETATM   40  H   UNL     1       2.350   0.843   2.546  1.00  0.00           H  
HETATM   41  H   UNL     1       0.869   1.832   2.526  1.00  0.00           H  
HETATM   42  H   UNL     1       0.832   0.268  -0.826  1.00  0.00           H  
HETATM   43  H   UNL     1       0.939   1.802   0.071  1.00  0.00           H  
HETATM   44  H   UNL     1       2.779  -1.154  -1.096  1.00  0.00           H  
HETATM   45  H   UNL     1       3.036   2.526   1.045  1.00  0.00           H  
HETATM   46  H   UNL     1       5.493   2.423   0.944  1.00  0.00           H  
HETATM   47  H   UNL     1       7.287   0.053   0.561  1.00  0.00           H  
HETATM   48  H   UNL     1       3.896  -2.922  -1.116  1.00  0.00           H  
HETATM   49  H   UNL     1       3.878  -2.026  -2.654  1.00  0.00           H  
HETATM   50  H   UNL     1       5.127  -3.259  -2.358  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    3    1                                                 
CONECT    3    4    2    5    5                                       
CONECT    4    9    9    3   28                                       
CONECT    5    3    3    7    6                                       
CONECT    6    5   29                                                 
CONECT    7    8    8    5   30                                       
CONECT    8    9    7    7   31                                       
CONECT    9   10    4    4    8                                       
CONECT   10   11    9   32   33                                       
CONECT   11   13   12   10   34                                       
CONECT   12   11   35   36   37                                       
CONECT   13   15   14   11   38                                       
CONECT   14   13   39   40   41                                       
CONECT   15   16   13   42   43                                       
CONECT   16   18   18   17   15                                       
CONECT   17   22   22   16   44                                       
CONECT   18   19   16   16   45                                       
CONECT   19   20   20   18   46                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20   47                                                 
CONECT   22   20   23   17   17                                       
CONECT   23   22   24                                                 
CONECT   24   23   48   49   50                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
