COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -3.456  -0.981  -0.804  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.820   1.495  -0.850  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.170   2.588   0.797  1.00  0.00           C  
HETATM    4  C   UNL     1       4.776  -0.061   0.839  1.00  0.00           C  
HETATM    5  C   UNL     1       3.172   2.786  -0.512  1.00  0.00           C  
HETATM    6  C   UNL     1       4.355   0.818  -1.539  1.00  0.00           C  
HETATM    7  C   UNL     1       3.240   1.260  -0.589  1.00  0.00           C  
HETATM    8  CA  UNL     1       3.451   0.655   0.812  1.00  0.00           C  
HETATM    9  C   UNL     1       1.091   0.098   0.583  1.00  0.00           C  
HETATM   10  CA  UNL     1       0.123  -1.086   0.552  1.00  0.00           C  
HETATM   11  C   UNL     1       0.800  -2.272  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.235  -1.352  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.064   0.278  -0.241  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.374   2.650  -0.331  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.423   1.370   1.400  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.865   0.215   0.883  1.00  0.00           C  
HETATM   17  N   UNL     1       2.395  -0.290   1.189  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.064  -0.725  -0.228  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.437  -2.072  -0.735  1.00  0.00           N  
HETATM   20  O   UNL     1       0.340  -2.766  -1.085  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.307  -2.214   0.848  1.00  0.00           O  
HETATM   22  OXT UNL     1       5.913   0.636   0.997  1.00  0.00           O  
HETATM   23  O   UNL     1       4.817  -1.263   0.717  1.00  0.00           O  
HETATM   24  S   UNL     1       1.625   0.566  -1.122  1.00  0.00           S  
HETATM   25  HA  UNL     1      -3.171  -0.814  -1.843  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.194   1.543  -1.729  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.606   3.491   1.201  1.00  0.00           H  
HETATM   28  H   UNL     1       2.985   3.192  -1.506  1.00  0.00           H  
HETATM   29  H   UNL     1       2.366   3.081   0.159  1.00  0.00           H  
HETATM   30  H   UNL     1       4.119   3.173  -0.134  1.00  0.00           H  
HETATM   31  H   UNL     1       5.313   1.186  -1.171  1.00  0.00           H  
HETATM   32  H   UNL     1       4.380  -0.270  -1.590  1.00  0.00           H  
HETATM   33  H   UNL     1       4.168   1.224  -2.533  1.00  0.00           H  
HETATM   34  HA  UNL     1       3.474   1.462   1.544  1.00  0.00           H  
HETATM   35  H   UNL     1       0.653   0.948   1.106  1.00  0.00           H  
HETATM   36  HA  UNL     1      -0.175  -1.339   1.569  1.00  0.00           H  
HETATM   37  H   UNL     1       1.698  -2.681   0.356  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.184   3.601  -0.807  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.055   1.320   2.273  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.056  -0.736   1.359  1.00  0.00           H  
HETATM   41  H   UNL     1       2.646  -1.234   0.933  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.007  -0.036  -0.908  1.00  0.00           H  
HETATM   43  H1  UNL     1      -4.718  -2.247   0.219  1.00  0.00           H  
HETATM   44  H2  UNL     1      -5.238  -1.876  -1.317  1.00  0.00           H  
HETATM   45  HXT UNL     1       6.738   0.133   1.007  1.00  0.00           H  
CONECT    1   13   12   19   25                                       
CONECT    2   14   13   13   26                                       
CONECT    3   14   14   15   27                                       
CONECT    4   23   23    8   22                                       
CONECT    5    7   28   29   30                                       
CONECT    6    7   31   32   33                                       
CONECT    7    5    6    8   24                                       
CONECT    8    7    4   17   34                                       
CONECT    9   24   17   10   35                                       
CONECT   10    9   18   11   36                                       
CONECT   11   10   20   20   37                                       
CONECT   12   18    1   21   21                                       
CONECT   13    2    2   16    1                                       
CONECT   14    3    3    2   38                                       
CONECT   15    3   16   16   39                                       
CONECT   16   15   15   13   40                                       
CONECT   17    8    9   41                                            
CONECT   18   10   12   42                                            
CONECT   19    1   43   44                                            
CONECT   20   11   11                                                 
CONECT   21   12   12                                                 
CONECT   22    4   45                                                 
CONECT   23    4    4                                                 
CONECT   24    7    9                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
