COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.279   0.146  -0.839  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.328  -0.090  -1.565  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.339   1.147  -0.534  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.373   0.667   0.792  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.336  -0.074   1.248  1.00  0.00           C  
HETATM    6  O   UNL     1       5.278   0.111  -0.449  1.00  0.00           O  
HETATM    7  P   UNL     1       4.246   1.020   0.097  1.00  0.00           P  
HETATM    8  O   UNL     1       3.817   2.085  -1.033  1.00  0.00           O  
HETATM    9  O   UNL     1       2.957   0.164   0.543  1.00  0.00           O  
HETATM   10  C   UNL     1       2.267  -0.721  -0.341  1.00  0.00           C  
HETATM   11  C   UNL     1       1.097  -1.372   0.400  1.00  0.00           C  
HETATM   12  O   UNL     1       0.076  -0.394   0.696  1.00  0.00           O  
HETATM   13  C   UNL     1       0.371  -2.392  -0.514  1.00  0.00           C  
HETATM   14  O   UNL     1       0.999  -3.674  -0.446  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.045  -2.436   0.110  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.148  -1.117   0.907  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.283  -0.327   0.421  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.546   0.974   1.686  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.379   1.902  -1.023  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.295   0.871  -1.304  1.00  0.00           N1+
HETATM   21  O   UNL     1       4.839   1.801   1.373  1.00  0.00           O  
HETATM   22  H   UNL     1      -3.339  -0.453   2.260  1.00  0.00           H  
HETATM   23  H   UNL     1       3.142   2.714  -0.744  1.00  0.00           H  
HETATM   24  H   UNL     1       1.889  -0.160  -1.195  1.00  0.00           H  
HETATM   25  H   UNL     1       2.952  -1.495  -0.688  1.00  0.00           H  
HETATM   26  H   UNL     1       1.443  -1.854   1.314  1.00  0.00           H  
HETATM   27  H   UNL     1       0.333  -2.034  -1.543  1.00  0.00           H  
HETATM   28  H   UNL     1       0.581  -4.346  -1.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.805  -2.472  -0.671  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.143  -3.293   0.775  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.273  -1.335   1.967  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.272   1.577   1.140  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.015   0.042   2.004  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.202   1.524   2.562  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.139   2.106  -0.456  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.352   2.231  -1.935  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.270   1.201  -2.216  1.00  0.00           H  
HETATM   38  H   UNL     1       5.619   2.339   1.177  1.00  0.00           H  
CONECT    1    2    2   20   17                                       
CONECT    2    1    1                                                 
CONECT    3   20   20   19    4                                       
CONECT    4    3    5    5   18                                       
CONECT    5   17    4    4   22                                       
CONECT    6    7    7                                                 
CONECT    7    9    6    6    8                                       
CONECT    7   21                                                      
CONECT    8    7   23                                                 
CONECT    9   10    7                                                 
CONECT   10   11    9   24   25                                       
CONECT   11   12   13   10   26                                       
CONECT   12   16   11                                                 
CONECT   13   14   15   11   27                                       
CONECT   14   13   28                                                 
CONECT   15   16   13   29   30                                       
CONECT   16   17   12   15   31                                       
CONECT   17    1   16    5                                            
CONECT   18    4   32   33   34                                       
CONECT   19    3   35   36                                            
CONECT   20    1    3    3   37                                       
CONECT   21    7   38                                                 
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
