COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.670   1.773   0.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.053  -0.664  -0.853  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.581   1.667  -0.218  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.183   0.451  -1.056  1.00  0.00           C  
HETATM    5  CA  UNL     1      -0.987  -1.362  -0.180  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.992   2.760   1.135  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.027   1.509   0.256  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.142   0.325   1.049  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.953   1.401  -0.958  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.260  -0.774  -0.250  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.715  -2.559   0.523  1.00  0.00           C  
HETATM   12  O   UNL     1       0.431  -2.960   0.621  1.00  0.00           O  
HETATM   13  OXT UNL     1      -1.725  -3.257   1.084  1.00  0.00           O  
HETATM   14  S   UNL     1       1.650  -1.094  -0.987  1.00  0.00           S  
HETATM   15  C   UNL     1       2.396   0.292  -0.093  1.00  0.00           C  
HETATM   16  C   UNL     1       3.920   0.195  -0.182  1.00  0.00           C  
HETATM   17  N   UNL     1       4.524   1.317   0.542  1.00  0.00           N  
HETATM   18  C   UNL     1       5.887   1.441   0.600  1.00  0.00           C  
HETATM   19  N   UNL     1       6.641   0.567   0.016  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.706   0.546  -1.481  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.626   0.968   1.696  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.494   2.570  -0.822  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.824   0.370  -1.934  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.311   2.375   0.854  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.034   0.161   1.383  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.669   0.535  -1.555  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.983   1.288  -0.620  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.865   2.304  -1.562  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.063  -1.120   0.170  1.00  0.00           H  
HETATM   30  HXT UNL     1      -1.441  -4.060   1.542  1.00  0.00           H  
HETATM   31  H   UNL     1       2.065   1.231  -0.537  1.00  0.00           H  
HETATM   32  H   UNL     1       2.090   0.257   0.952  1.00  0.00           H  
HETATM   33  H   UNL     1       4.251  -0.744   0.262  1.00  0.00           H  
HETATM   34  H   UNL     1       4.227   0.230  -1.227  1.00  0.00           H  
HETATM   35  H   UNL     1       3.958   1.972   0.979  1.00  0.00           H  
HETATM   36  H   UNL     1       6.332   2.268   1.133  1.00  0.00           H  
HETATM   37  H   UNL     1       7.606   0.654   0.058  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.263   1.462  -1.092  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.613   0.508  -2.566  1.00  0.00           H  
CONECT    1    3    6    6   21                                       
CONECT    2    5    5   14   20                                       
CONECT    3    1    4    7   22                                       
CONECT    4    3   10   20   23                                       
CONECT    5    2    2   10   11                                       
CONECT    6    1    1                                                 
CONECT    7    3    8    9   24                                       
CONECT    8    7   25                                                 
CONECT    9    7   26   27   28                                       
CONECT   10    4    5   29                                            
CONECT   11    5   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   30                                                 
CONECT   14    2   15                                                 
CONECT   15   14   16   31   32                                       
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35                                            
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   37                                            
CONECT   20    2    4   38   39                                       
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
