COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.279  -3.222   0.971  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.593  -2.314   0.538  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.607  -2.003  -0.843  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.470  -2.792  -1.794  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.838  -0.991  -1.297  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.817  -1.591   1.371  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.060  -0.587   0.891  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.365   0.057   1.654  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.060  -0.285  -0.420  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.225   0.813  -0.912  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.659   2.149  -0.269  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.332   2.907  -0.045  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.321   4.128  -0.787  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.855   0.630  -0.493  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.252   1.939  -0.579  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.998   2.007   0.293  1.00  0.00           C  
HETATM   17  O   UNL     1       0.028   1.195  -0.283  1.00  0.00           O  
HETATM   18  P   UNL     1       1.489   1.031   0.373  1.00  0.00           P  
HETATM   19  O   UNL     1       1.358   0.289   1.796  1.00  0.00           O  
HETATM   20  O   UNL     1       2.095   2.367   0.567  1.00  0.00           O  
HETATM   21  C   UNL     1       2.544   0.040  -0.734  1.00  0.00           C  
HETATM   22  P   UNL     1       4.199  -0.146   0.008  1.00  0.00           P  
HETATM   23  O   UNL     1       4.079  -0.827   1.316  1.00  0.00           O  
HETATM   24  O   UNL     1       4.858   1.308   0.219  1.00  0.00           O  
HETATM   25  N   UNL     1       5.173  -1.061  -1.014  1.00  0.00           N  
HETATM   26  P   UNL     1       6.713  -1.256  -0.364  1.00  0.00           P  
HETATM   27  O   UNL     1       6.614  -1.947   0.941  1.00  0.00           O  
HETATM   28  O   UNL     1       7.613  -2.135  -1.370  1.00  0.00           O  
HETATM   29  O   UNL     1       7.395   0.187  -0.156  1.00  0.00           O  
HETATM   30  H   UNL     1      -8.013  -3.559  -1.241  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.181  -2.123  -2.279  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.842  -3.264  -2.549  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.835  -0.740  -2.347  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.805  -1.795   2.319  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.284   0.876  -1.998  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.308   2.705  -0.946  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.162   1.969   0.682  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.178   3.102   1.016  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.018   4.749  -0.533  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.009   2.177  -1.615  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.652   3.039   0.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.231   1.643   1.294  1.00  0.00           H  
HETATM   43  H   UNL     1       0.968  -0.594   1.745  1.00  0.00           H  
HETATM   44  H   UNL     1       2.098  -0.944  -0.877  1.00  0.00           H  
HETATM   45  H   UNL     1       2.633   0.542  -1.698  1.00  0.00           H  
HETATM   46  H   UNL     1       4.968   1.813  -0.598  1.00  0.00           H  
HETATM   47  H   UNL     1       4.749  -1.954  -1.214  1.00  0.00           H  
HETATM   48  H   UNL     1       8.515  -2.288  -1.058  1.00  0.00           H  
HETATM   49  H   UNL     1       7.493   0.697  -0.972  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   30   31   32                                       
CONECT    5    9    3    3   33                                       
CONECT    6    7    2   34                                            
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10    5                                            
CONECT   10   11    9   14   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   15   38                                       
CONECT   13   12   39                                                 
CONECT   14   10   15                                                 
CONECT   15   12   14   16   40                                       
CONECT   16   15   17   41   42                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   20   20                                       
CONECT   18   19                                                      
CONECT   19   18   43                                                 
CONECT   20   18   18                                                 
CONECT   21   22   18   44   45                                       
CONECT   22   23   23   24   21                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   46                                                 
CONECT   25   22   26   47                                            
CONECT   26   25   27   27   29                                       
CONECT   26   28                                                      
CONECT   27   26   26                                                 
CONECT   28   26   48                                                 
CONECT   29   26   49                                                 
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
