COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.893   2.580  -2.767  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.634   1.913  -1.825  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.601  -1.293   1.284  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.878   2.369  -1.513  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.621   1.725  -0.589  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.087   0.588   0.035  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.815   0.163  -0.318  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.128   0.845  -1.249  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.211  -1.703   0.308  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.026  -2.271  -1.116  1.00  0.00           C  
HETATM   11  C   UNL     1       1.488  -2.127  -1.385  1.00  0.00           C  
HETATM   12  C   UNL     1       2.040  -1.488  -0.091  1.00  0.00           C  
HETATM   13  C   UNL     1       3.148  -0.487  -0.423  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.621  -0.270   1.017  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.473  -0.966   0.405  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.417  -3.645  -1.162  1.00  0.00           O  
HETATM   17  O   UNL     1       2.082  -3.408  -1.608  1.00  0.00           O  
HETATM   18  O   UNL     1       0.909  -0.810   0.497  1.00  0.00           O  
HETATM   19  O   UNL     1       3.724   0.005   0.790  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.738   2.126  -0.301  1.00  0.00           O  
HETATM   21  O   UNL     1       6.055   0.577   0.010  1.00  0.00           O  
HETATM   22  O   UNL     1       4.405   2.477   0.208  1.00  0.00           O  
HETATM   23  P   UNL     1       4.922   1.080   0.819  1.00  0.00           P  
HETATM   24  C   UNL     1      -4.832  -0.171   1.599  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.300  -1.240   2.552  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.546   0.779   1.355  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.006   2.262  -3.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.256   3.366  -3.202  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.289  -1.251   2.328  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.230   3.157  -1.956  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.184  -2.506   1.045  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.600  -1.688  -1.837  1.00  0.00           H  
HETATM   33  H   UNL     1       1.663  -1.472  -2.239  1.00  0.00           H  
HETATM   34  H   UNL     1       2.415  -2.259   0.582  1.00  0.00           H  
HETATM   35  H   UNL     1       3.918  -0.980  -1.016  1.00  0.00           H  
HETATM   36  H   UNL     1       2.729   0.345  -0.989  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.322  -4.052  -2.033  1.00  0.00           H  
HETATM   38  H   UNL     1       1.727  -3.877  -2.375  1.00  0.00           H  
HETATM   39  H   UNL     1       3.661   2.865   0.689  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.498  -1.959   2.714  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.577  -0.784   3.502  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.166  -1.751   2.129  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.990  -2.284   1.048  1.00  0.00           H  
HETATM   44  O   UNL     1       5.405   1.304   2.338  1.00  0.00           O  
HETATM   45  H   UNL     1       6.127   1.941   2.431  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    8    8    4                                       
CONECT    3   15   14   29   43                                       
CONECT    4    2    5   30                                            
CONECT    5    4    6   20   20                                       
CONECT    6    7    7    5   14                                       
CONECT    7    8   15    6    6                                       
CONECT    8    2    2    7                                            
CONECT    9   18   15   10   31                                       
CONECT   10    9   16   11   32                                       
CONECT   11   17   12   10   33                                       
CONECT   12   18   11   13   34                                       
CONECT   13   12   19   35   36                                       
CONECT   14    6    3   24                                            
CONECT   15    7    9    3                                            
CONECT   16   10   37                                                 
CONECT   17   11   38                                                 
CONECT   18    9   12                                                 
CONECT   19   13   23                                                 
CONECT   20    5    5                                                 
CONECT   21   23   23                                                 
CONECT   22   23   39                                                 
CONECT   23   21   21   19   22                                       
CONECT   23   44                                                      
CONECT   24   14   25   26   26                                       
CONECT   25   24   40   41   42                                       
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43    3                                                      
CONECT   44   23   45                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
