COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.330   1.205  -0.540  1.00  0.00           C  
HETATM    2  C   UNL     1       5.294   0.160  -1.098  1.00  0.00           C  
HETATM    3  C   UNL     1       4.912  -1.235  -0.592  1.00  0.00           C  
HETATM    4  C   UNL     1       3.384  -1.190  -0.380  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.357  -1.479   0.768  1.00  0.00           N  
HETATM    6  CA  UNL     1      -3.684  -0.102   0.372  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.152  -0.007   0.048  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.778  -1.006  -0.218  1.00  0.00           O  
HETATM    9  C   UNL     1       0.707  -0.814  -0.308  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.636  -0.837  -0.636  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.399   0.308  -0.502  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.821   1.474  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1       0.522   1.497   0.290  1.00  0.00           C  
HETATM   14  C   UNL     1       1.285   0.351   0.161  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.863   0.283  -0.860  1.00  0.00           C  
HETATM   16  P   UNL     1       3.100   0.382   0.605  1.00  0.00           P  
HETATM   17  B   UNL     1       3.700  -0.473   2.168  1.00  0.00           B  
HETATM   18  H   UNL     1       4.893   1.961   0.010  1.00  0.00           H  
HETATM   19  H   UNL     1       3.797   1.682  -1.365  1.00  0.00           H  
HETATM   20  H   UNL     1       5.253   0.175  -2.189  1.00  0.00           H  
HETATM   21  H   UNL     1       6.310   0.398  -0.775  1.00  0.00           H  
HETATM   22  H   UNL     1       5.167  -1.985  -1.336  1.00  0.00           H  
HETATM   23  H   UNL     1       5.416  -1.443   0.349  1.00  0.00           H  
HETATM   24  H   UNL     1       2.871  -1.132  -1.336  1.00  0.00           H  
HETATM   25  H   UNL     1       3.054  -2.055   0.187  1.00  0.00           H  
HETATM   26  H1  UNL     1      -3.566  -2.128   0.024  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.392  -1.554   1.052  1.00  0.00           H  
HETATM   28  HA  UNL     1      -3.448   0.577   1.192  1.00  0.00           H  
HETATM   29  H   UNL     1       1.304  -1.708  -0.413  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.087  -1.748  -0.998  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.417   2.368   0.067  1.00  0.00           H  
HETATM   32  H   UNL     1       0.974   2.409   0.652  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.031  -0.448  -1.651  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.169   1.270  -1.206  1.00  0.00           H  
HETATM   35  H   UNL     1       3.731   0.114   3.180  1.00  0.00           H  
HETATM   36  H   UNL     1       4.042  -1.591   2.129  1.00  0.00           H  
HETATM   37  OXT UNL     1      -5.765   1.187   0.054  1.00  0.00           O  
HETATM   38  H   UNL     1       2.918   1.640   1.342  1.00  0.00           H  
HETATM   39  HXT UNL     1      -6.708   1.197  -0.161  1.00  0.00           H  
CONECT    1   16    2   18   19                                       
CONECT    2    3    1   20   21                                       
CONECT    3    4    2   22   23                                       
CONECT    4   16    3   24   25                                       
CONECT    5    6   26   27                                            
CONECT    6   15    7    5   28                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7                                                 
CONECT    9   14   10   10   29                                       
CONECT   10    9    9   11   30                                       
CONECT   11   12   12   10   15                                       
CONECT   12   13   11   11   31                                       
CONECT   13   14   14   12   32                                       
CONECT   14   16   13   13    9                                       
CONECT   15   11    6   33   34                                       
CONECT   16   17    4   14    1                                       
CONECT   16   38                                                      
CONECT   17   16   35   36                                            
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37    7   39                                                 
CONECT   38   16                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
