COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.755   2.031   0.046  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.542   1.139   0.105  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.733   1.028  -0.978  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.366  -1.515  -0.674  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.207  -1.370   0.408  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.317  -0.538   0.314  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.249   0.428   1.288  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.166  -2.421  -0.571  1.00  0.00           C  
HETATM    9  C   UNL     1       2.106  -2.542   0.257  1.00  0.00           C  
HETATM   10  C   UNL     1       3.256  -1.713   0.836  1.00  0.00           C  
HETATM   11  C   UNL     1       2.549   0.188  -0.486  1.00  0.00           C  
HETATM   12  C   UNL     1       1.400  -0.641  -1.064  1.00  0.00           C  
HETATM   13  C   UNL     1       4.756   0.023   0.314  1.00  0.00           C  
HETATM   14  C   UNL     1       5.030   1.548  -1.677  1.00  0.00           C  
HETATM   15  C   UNL     1       7.376   2.583   0.145  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.987   0.547   2.251  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.983   1.199  -0.331  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.176  -0.377   1.380  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.562   0.154  -0.888  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.611  -0.832  -1.857  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.693  -0.005  -1.972  1.00  0.00           C  
HETATM   22  N   UNL     1       0.987  -1.653  -0.082  1.00  0.00           N  
HETATM   23  N   UNL     1       3.669  -0.701  -0.147  1.00  0.00           N  
HETATM   24  N   UNL     1       5.380   1.031  -0.352  1.00  0.00           N  
HETATM   25  C   UNL     1       6.403   1.475   0.456  1.00  0.00           C  
HETATM   26  C   UNL     1       6.369   0.731   1.575  1.00  0.00           C  
HETATM   27  N   UNL     1       5.354  -0.143   1.470  1.00  0.00           N  
HETATM   28  H   UNL     1      -6.915   2.493   1.020  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.600   2.808  -0.703  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.948   1.571  -1.886  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.007  -1.906   1.325  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.383  -3.233   0.123  1.00  0.00           H  
HETATM   33  H   UNL     1       0.063  -2.834  -1.553  1.00  0.00           H  
HETATM   34  H   UNL     1       2.446  -3.057  -0.641  1.00  0.00           H  
HETATM   35  H   UNL     1       1.779  -3.274   0.995  1.00  0.00           H  
HETATM   36  H   UNL     1       2.924  -1.219   1.749  1.00  0.00           H  
HETATM   37  H   UNL     1       4.098  -2.367   1.061  1.00  0.00           H  
HETATM   38  H   UNL     1       2.877   0.920  -1.224  1.00  0.00           H  
HETATM   39  H   UNL     1       2.209   0.704   0.412  1.00  0.00           H  
HETATM   40  H   UNL     1       0.558   0.013  -1.289  1.00  0.00           H  
HETATM   41  H   UNL     1       1.732  -1.134  -1.978  1.00  0.00           H  
HETATM   42  H   UNL     1       4.307   2.356  -1.573  1.00  0.00           H  
HETATM   43  H   UNL     1       5.927   1.924  -2.169  1.00  0.00           H  
HETATM   44  H   UNL     1       4.597   0.747  -2.276  1.00  0.00           H  
HETATM   45  H   UNL     1       6.974   3.531   0.502  1.00  0.00           H  
HETATM   46  H   UNL     1       8.326   2.382   0.639  1.00  0.00           H  
HETATM   47  H   UNL     1       7.532   2.637  -0.933  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.860   1.844  -0.373  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.823   0.737  -1.305  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.138   0.422   0.418  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.004  -0.851   2.208  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.942  -0.956  -2.696  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.877   0.522  -2.896  1.00  0.00           H  
HETATM   54  H   UNL     1       7.040   0.824   2.416  1.00  0.00           H  
CONECT    1    2   17   28   29                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2   19   30                                       
CONECT    4    5    8   20   20                                       
CONECT    5    6    6    4   31                                       
CONECT    6   18    5    5   19                                       
CONECT    7   16   16   18    2                                       
CONECT    8    4   22   32   33                                       
CONECT    9   22   10   34   35                                       
CONECT   10    9   23   36   37                                       
CONECT   11   12   23   38   39                                       
CONECT   12   22   11   40   41                                       
CONECT   13   27   27   23   24                                       
CONECT   14   24   42   43   44                                       
CONECT   15   25   45   46   47                                       
CONECT   16    7    7                                                 
CONECT   17    1   48   49   50                                       
CONECT   18    7    6   51                                            
CONECT   19    6    3   21   21                                       
CONECT   20    4    4   21   52                                       
CONECT   21   19   19   20   53                                       
CONECT   22    8    9   12                                            
CONECT   23   10   11   13                                            
CONECT   24   13   25   14                                            
CONECT   25   26   26   24   15                                       
CONECT   26   27   25   25   54                                       
CONECT   27   13   13   26                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
