COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.226   0.047  -0.068  1.00  0.00           C  
HETATM    2  C   UNL     1       1.869  -0.663  -0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       0.765   0.369   0.203  1.00  0.00           C  
HETATM    4  C   UNL     1       2.341  -3.915   1.922  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.598  -0.324   0.170  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.706   0.724   0.291  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.070   0.031   0.258  1.00  0.00           C  
HETATM    8  C   UNL     1       2.353  -2.892   0.815  1.00  0.00           C  
HETATM    9  C   UNL     1       3.199   1.137  -1.144  1.00  0.00           C  
HETATM   10  C   UNL     1       2.272   2.775   0.472  1.00  0.00           C  
HETATM   11  C   UNL     1       2.044   2.100  -0.856  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.532   1.567   0.219  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.387   0.586   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.708  -2.944  -2.330  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.509  -2.147  -1.067  1.00  0.00           C  
HETATM   16  N   UNL     1       1.857  -1.658   1.033  1.00  0.00           N  
HETATM   17  O   UNL     1       2.810  -3.179  -0.271  1.00  0.00           O  
HETATM   18  O   UNL     1       2.278   3.981   0.544  1.00  0.00           O  
HETATM   19  O   UNL     1       2.468   2.036   1.575  1.00  0.00           O  
HETATM   20  O   UNL     1       1.978   3.087  -1.887  1.00  0.00           O  
HETATM   21  O   UNL     1       4.256  -0.896  -0.369  1.00  0.00           O  
HETATM   22  O   UNL     1       0.816   1.370  -0.816  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.746  -1.042  -1.083  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.561   1.431   1.524  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.122   1.032   0.253  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.609  -0.601   0.205  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.035  -2.502  -0.039  1.00  0.00           O  
HETATM   28  H   UNL     1       3.418   0.500   0.905  1.00  0.00           H  
HETATM   29  H   UNL     1       1.699  -1.158  -0.999  1.00  0.00           H  
HETATM   30  H   UNL     1       0.913   0.834   1.178  1.00  0.00           H  
HETATM   31  H   UNL     1       1.411  -4.481   1.883  1.00  0.00           H  
HETATM   32  H   UNL     1       3.185  -4.594   1.798  1.00  0.00           H  
HETATM   33  H   UNL     1       2.420  -3.410   2.884  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.669  -1.026   1.001  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.635   1.426  -0.540  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.145  -0.579  -0.642  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.176  -0.604   1.138  1.00  0.00           H  
HETATM   38  H   UNL     1       4.141   1.684  -1.132  1.00  0.00           H  
HETATM   39  H   UNL     1       3.056   0.679  -2.123  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.139   2.583   0.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.126   1.425  -0.684  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.157   1.401   1.096  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.582  -2.569  -2.862  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.827  -2.846  -2.964  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.859  -3.993  -2.077  1.00  0.00           H  
HETATM   46  H   UNL     1       1.492  -1.428   1.902  1.00  0.00           H  
HETATM   47  H   UNL     1       2.610   2.513   2.404  1.00  0.00           H  
HETATM   48  H   UNL     1       1.267   3.732  -1.769  1.00  0.00           H  
HETATM   49  H   UNL     1       5.142  -0.512  -0.407  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.614   0.868   2.309  1.00  0.00           H  
CONECT    1   21    2    9   28                                       
CONECT    2   16    1    3   29                                       
CONECT    3    2    5   22   30                                       
CONECT    4    8   31   32   33                                       
CONECT    5   23    3    6   34                                       
CONECT    6    5    7   24   35                                       
CONECT    7   25    6   36   37                                       
CONECT    8   17   17    4   16                                       
CONECT    9    1   11   38   39                                       
CONECT   10   11   18   18   19                                       
CONECT   11    9   22   20   10                                       
CONECT   12   13   40   41   42                                       
CONECT   13   26   26   25   12                                       
CONECT   14   15   43   44   45                                       
CONECT   15   23   14   27   27                                       
CONECT   16    8    2   46                                            
CONECT   17    8    8                                                 
CONECT   18   10   10                                                 
CONECT   19   10   47                                                 
CONECT   20   11   48                                                 
CONECT   21    1   49                                                 
CONECT   22    3   11                                                 
CONECT   23    5   15                                                 
CONECT   24    6   50                                                 
CONECT   25   13    7                                                 
CONECT   26   13   13                                                 
CONECT   27   15   15                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
