COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.651   0.763  -0.142  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.849  -0.462   0.234  1.00  0.00           C  
HETATM    3  CA  UNL     1      -1.475  -1.555  -0.240  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.661  -1.246  -0.927  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.859   0.212  -0.920  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.163   0.570  -0.204  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.416   2.050  -0.329  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.872   0.756  -2.351  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.992  -2.873  -0.065  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.051   0.195   1.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.283   0.705   2.026  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.010  -3.074   0.625  1.00  0.00           O  
HETATM   13  OXT UNL     1      -1.619  -3.907  -0.665  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.971  -1.226   1.402  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.487   2.823  -0.337  1.00  0.00           O  
HETATM   16  C   UNL     1       1.720   0.449  -0.009  1.00  0.00           C  
HETATM   17  C   UNL     1       2.134  -0.444  -1.205  1.00  0.00           C  
HETATM   18  C   UNL     1       3.095   0.768   0.634  1.00  0.00           C  
HETATM   19  C   UNL     1       4.032   0.884  -0.587  1.00  0.00           C  
HETATM   20  C   UNL     1       5.375   0.282  -0.262  1.00  0.00           C  
HETATM   21  C   UNL     1       7.582   0.404   0.764  1.00  0.00           C  
HETATM   22  C   UNL     1       5.951   2.343   0.903  1.00  0.00           C  
HETATM   23  N   UNL     1       3.401   0.141  -1.693  1.00  0.00           N  
HETATM   24  N   UNL     1       6.276   0.989   0.448  1.00  0.00           N  
HETATM   25  O   UNL     1       5.644  -0.839  -0.638  1.00  0.00           O  
HETATM   26  S   UNL     1       0.660  -0.459   1.143  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.983   1.289   0.753  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.060   1.425  -0.775  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.254  -1.891  -1.342  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.989   0.020  -0.656  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.785   3.467  -0.510  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.684   0.289  -2.909  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.021   1.835  -2.328  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.922   0.530  -2.834  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.155   0.648   1.698  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.179   0.251   1.603  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.203   0.438   3.079  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.344   1.789   1.929  1.00  0.00           H  
HETATM   39  HXT UNL     1      -1.216  -4.768  -0.487  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.144  -1.605   1.073  1.00  0.00           H  
HETATM   41  H   UNL     1       1.230   1.359  -0.353  1.00  0.00           H  
HETATM   42  H   UNL     1       2.293  -1.471  -0.874  1.00  0.00           H  
HETATM   43  H   UNL     1       1.373  -0.411  -1.985  1.00  0.00           H  
HETATM   44  H   UNL     1       3.056   1.711   1.180  1.00  0.00           H  
HETATM   45  H   UNL     1       3.412  -0.043   1.291  1.00  0.00           H  
HETATM   46  H   UNL     1       4.153   1.931  -0.864  1.00  0.00           H  
HETATM   47  H   UNL     1       8.289   0.645  -0.029  1.00  0.00           H  
HETATM   48  H   UNL     1       7.943   0.811   1.709  1.00  0.00           H  
HETATM   49  H   UNL     1       7.484  -0.678   0.848  1.00  0.00           H  
HETATM   50  H   UNL     1       5.075   2.308   1.551  1.00  0.00           H  
HETATM   51  H   UNL     1       6.796   2.754   1.456  1.00  0.00           H  
HETATM   52  H   UNL     1       5.740   2.976   0.041  1.00  0.00           H  
HETATM   53  H   UNL     1       4.018  -0.575  -2.047  1.00  0.00           H  
HETATM   54  O   UNL     1      -5.673   2.510  -0.431  1.00  0.00           O  
CONECT    1    5    2   27   28                                       
CONECT    2    3    3    1   26                                       
CONECT    3    9    4    2    2                                       
CONECT    4    3    5   29                                            
CONECT    5    4    8    6    1                                       
CONECT    6    7    5   10   30                                       
CONECT    7   15   15    6   54                                       
CONECT    8    5   32   33   34                                       
CONECT    9   12   12   13    3                                       
CONECT   10    6   11   14   35                                       
CONECT   11   10   36   37   38                                       
CONECT   12    9    9                                                 
CONECT   13    9   39                                                 
CONECT   14   10   40                                                 
CONECT   15    7    7                                                 
CONECT   16   17   26   18   41                                       
CONECT   17   23   16   42   43                                       
CONECT   18   19   16   44   45                                       
CONECT   19   23   20   18   46                                       
CONECT   20   25   25   19   24                                       
CONECT   21   24   47   48   49                                       
CONECT   22   24   50   51   52                                       
CONECT   23   17   19   53                                            
CONECT   24   20   21   22                                            
CONECT   25   20   20                                                 
CONECT   26    2   16                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31   54                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54    7   31                                                 
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
