COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.417   2.538  -1.324  1.00  0.00           C  
HETATM    2  C   UNL     1       2.490   1.358  -0.353  1.00  0.00           C  
HETATM    3  C   UNL     1       3.652   0.473  -0.725  1.00  0.00           C  
HETATM    4  C   UNL     1       4.638   0.260   0.154  1.00  0.00           C  
HETATM    5  C   UNL     1       5.767  -0.600  -0.207  1.00  0.00           C  
HETATM    6  O   UNL     1       5.809  -1.119  -1.304  1.00  0.00           O  
HETATM    7  C   UNL     1       6.868  -0.838   0.775  1.00  0.00           C  
HETATM    8  O   UNL     1       7.810  -1.555   0.475  1.00  0.00           O1-
HETATM    9  O   UNL     1       6.826  -0.317   1.878  1.00  0.00           O  
HETATM   10  C   UNL     1       1.211   0.565  -0.430  1.00  0.00           C  
HETATM   11  O   UNL     1       1.142  -0.403  -1.149  1.00  0.00           O  
HETATM   12  C   UNL     1       0.017   0.980   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.141   0.015   0.131  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.353   0.436   0.965  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.433  -0.609   0.833  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.566  -0.442   1.861  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.703  -1.316   1.281  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.433  -1.442  -0.231  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.193  -2.809  -0.574  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.167  -0.588  -0.518  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.314  -1.183  -1.641  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.668   0.819  -0.853  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.514   1.820  -0.877  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.845   1.781   0.482  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.711   2.778   1.149  1.00  0.00           O  
HETATM   26  H   UNL     1       3.343   3.112  -1.268  1.00  0.00           H  
HETATM   27  H   UNL     1       2.281   2.166  -2.339  1.00  0.00           H  
HETATM   28  H   UNL     1       1.577   3.178  -1.055  1.00  0.00           H  
HETATM   29  H   UNL     1       2.627   1.730   0.662  1.00  0.00           H  
HETATM   30  H   UNL     1       3.689   0.012  -1.700  1.00  0.00           H  
HETATM   31  H   UNL     1       4.601   0.721   1.130  1.00  0.00           H  
HETATM   32  H   UNL     1       0.278   0.957   1.449  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.282   1.990   0.113  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.402   0.038  -0.927  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.842  -0.996   0.410  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.058   0.517   2.011  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.986  -1.595   0.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.257  -0.812   2.838  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.877   0.601   1.924  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.691  -2.301   1.746  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.667  -0.834   1.449  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.282  -1.058  -0.797  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.938  -3.397  -0.391  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.891  -2.132  -1.312  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.936  -1.348  -2.521  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.509  -0.492  -1.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.150   0.804  -1.831  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.394   1.128  -0.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.798   1.540  -1.650  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.897   2.822  -1.072  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   10   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7                                                 
CONECT   10    2   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   32   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   24   36                                       
CONECT   15   14   16   20   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   16   18   40   41                                       
CONECT   18   17   19   20   42                                       
CONECT   19   18   43                                                 
CONECT   20   15   18   21   22                                       
CONECT   21   20   44   45   46                                       
CONECT   22   20   23   47   48                                       
CONECT   23   22   24   49   50                                       
CONECT   24   14   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
