COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.249   3.689  -0.237  1.00  0.00           C  
HETATM    2  C   UNL     1       0.890   3.408  -0.080  1.00  0.00           C  
HETATM    3  C   UNL     1       0.471   2.109   0.097  1.00  0.00           C  
HETATM    4  C   UNL     1       2.467  -0.807   0.221  1.00  0.00           C  
HETATM    5  C   UNL     1       2.713   1.333  -0.030  1.00  0.00           C  
HETATM    6  C   UNL     1       2.805  -2.270   0.345  1.00  0.00           C  
HETATM    7  C   UNL     1       3.560  -2.717   1.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.767   1.005   1.617  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.181   1.793  -0.633  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.856   2.064  -0.790  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.835   0.609   1.299  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.112   1.061   0.434  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.524   1.456  -0.783  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.379   1.935  -1.539  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.659   1.255   0.568  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.439   1.285   1.465  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.966   1.818   0.262  1.00  0.00           C  
HETATM   18  N   UNL     1       1.380   1.085   0.121  1.00  0.00           N  
HETATM   19  C   UNL     1       3.165   2.658  -0.213  1.00  0.00           C  
HETATM   20  O   UNL     1       4.489   2.915  -0.369  1.00  0.00           O  
HETATM   21  C   UNL     1       4.868   4.280  -0.556  1.00  0.00           C  
HETATM   22  N   UNL     1       3.345   0.167   0.035  1.00  0.00           N  
HETATM   23  N   UNL     1       1.256  -0.303   0.281  1.00  0.00           N  
HETATM   24  C   UNL     1       4.280  -2.665   0.249  1.00  0.00           C  
HETATM   25  C   UNL     1       1.791  -3.223  -0.234  1.00  0.00           C  
HETATM   26  O   UNL     1       2.156  -4.253  -0.750  1.00  0.00           O  
HETATM   27  O   UNL     1       0.483  -2.928  -0.176  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.437  -3.892  -0.753  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.872  -3.387  -0.593  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.831  -4.339  -1.310  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.229  -3.327   0.893  1.00  0.00           C  
HETATM   32  H   UNL     1       2.581   4.707  -0.380  1.00  0.00           H  
HETATM   33  H   UNL     1       0.168   4.211  -0.098  1.00  0.00           H  
HETATM   34  H   UNL     1       3.812  -1.953   2.333  1.00  0.00           H  
HETATM   35  H   UNL     1       3.324  -3.701   2.004  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.129   0.594   2.547  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.492   2.466  -1.724  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.520   2.982  -1.808  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.245   1.332  -2.437  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.753   1.096   2.277  1.00  0.00           H  
HETATM   41  H   UNL     1       5.950   4.345  -0.668  1.00  0.00           H  
HETATM   42  H   UNL     1       4.385   4.672  -1.452  1.00  0.00           H  
HETATM   43  H   UNL     1       4.556   4.865   0.310  1.00  0.00           H  
HETATM   44  H   UNL     1       4.517  -3.614  -0.232  1.00  0.00           H  
HETATM   45  H   UNL     1       5.006  -1.866   0.097  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.212  -4.019  -1.812  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.329  -4.848  -0.242  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.957  -2.391  -1.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.746  -5.335  -0.876  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.853  -3.979  -1.197  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.576  -4.382  -2.369  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.144  -4.323   1.328  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.546  -2.648   1.404  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.252  -2.967   1.007  1.00  0.00           H  
CONECT    1    2   19   19   32                                       
CONECT    2    3    3    1   33                                       
CONECT    3   17   18    2    2                                       
CONECT    4   23   23    6   22                                       
CONECT    5   18   22   22   19                                       
CONECT    6   25    4   24    7                                       
CONECT    7    6   24   34   35                                       
CONECT    8   15   16   16   36                                       
CONECT    9   14   15   15   10                                       
CONECT   10    9   17   17   37                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13   15                                       
CONECT   13   12   14                                                 
CONECT   14   13    9   38   39                                       
CONECT   15   12    9    9    8                                       
CONECT   16    8    8   17   40                                       
CONECT   17   10   10   16    3                                       
CONECT   18    3   23    5                                            
CONECT   19    5    1    1   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   41   42   43                                       
CONECT   22    4    5    5                                            
CONECT   23   18    4    4                                            
CONECT   24    6    7   44   45                                       
CONECT   25   27   26   26    6                                       
CONECT   26   25   25                                                 
CONECT   27   28   25                                                 
CONECT   28   29   27   46   47                                       
CONECT   29   31   30   28   48                                       
CONECT   30   29   49   50   51                                       
CONECT   31   29   52   53   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
