COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.251   0.306   0.466  1.00  0.00           N  
HETATM    2  C   UNL     1       2.929  -2.526   1.077  1.00  0.00           C  
HETATM    3  C   UNL     1       2.609  -3.804   0.685  1.00  0.00           C  
HETATM    4  C   UNL     1       1.859  -3.888  -0.421  1.00  0.00           C  
HETATM    5  C   UNL     1       1.221   2.993  -0.169  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.081   2.503   0.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.346   2.570   0.460  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.483  -0.386  -0.262  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.766  -1.069   0.278  1.00  0.00           C  
HETATM   10  O   UNL     1       3.232   0.311   1.363  1.00  0.00           O  
HETATM   11  C   UNL     1       2.582  -0.118   0.428  1.00  0.00           C  
HETATM   12  C   UNL     1       2.411  -1.563   0.257  1.00  0.00           C  
HETATM   13  S   UNL     1       1.508  -2.337  -1.039  1.00  0.00           S  
HETATM   14  N   UNL     1       2.020   0.736  -0.451  1.00  0.00           N  
HETATM   15  CA  UNL     1       2.270   2.114  -0.348  1.00  0.00           C  
HETATM   16  C   UNL     1       3.584   2.597  -0.427  1.00  0.00           C  
HETATM   17  O   UNL     1       4.498   1.834  -0.675  1.00  0.00           O  
HETATM   18  S   UNL     1      -0.542   0.807   0.001  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.218   1.218   0.340  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.185   3.275   0.302  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.927  -2.046   0.484  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.986  -1.718  -0.418  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.339   0.608  -0.476  1.00  0.00           C  
HETATM   24  H   UNL     1       3.526  -2.304   1.949  1.00  0.00           H  
HETATM   25  H   UNL     1       2.939  -4.677   1.229  1.00  0.00           H  
HETATM   26  H   UNL     1       1.521  -4.814  -0.862  1.00  0.00           H  
HETATM   27  H   UNL     1       1.400   4.058  -0.186  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.292   3.048   0.669  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.267  -0.201  -0.997  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.888  -0.264   0.742  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.372  -1.181  -0.732  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.979  -1.280   1.002  1.00  0.00           H  
HETATM   33  H   UNL     1       1.444   0.399  -1.154  1.00  0.00           H  
HETATM   34  H   UNL     1       3.785   3.646  -0.266  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.141   4.351   0.377  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.585  -3.063   0.290  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.286  -1.973   1.511  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.700   1.622  -0.302  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.969   0.523  -1.498  1.00  0.00           H  
CONECT    1   19   23    9                                            
CONECT    2   12   12    3   24                                       
CONECT    3    4    4    2   25                                       
CONECT    4   13    3    3   26                                       
CONECT    5   15   15    6   27                                       
CONECT    6    5   18   20   20                                       
CONECT    7   20   19   19   28                                       
CONECT    8   23   22   29   30                                       
CONECT    9    1   21   31   32                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   12   14                                       
CONECT   12   13   11    2    2                                       
CONECT   13    4   12                                                 
CONECT   14   11   15   33                                            
CONECT   15   16   14    5    5                                       
CONECT   16   17   17   15   34                                       
CONECT   17   16   16                                                 
CONECT   18    6   19                                                 
CONECT   19   18    7    7    1                                       
CONECT   20    6    6    7   35                                       
CONECT   21   22    9   36   37                                       
CONECT   22    8   21                                                 
CONECT   23    8    1   38   39                                       
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
