COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.920  -0.772   0.717  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082   0.012   1.748  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.008   0.149  -0.398  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.669   0.030   1.109  1.00  0.00           C  
HETATM    5  C   UNL     1       1.847   1.097   0.955  1.00  0.00           C  
HETATM    6  CA  UNL     1       2.456   1.819  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       4.090  -1.146  -0.515  1.00  0.00           C  
HETATM    8  C   UNL     1       5.402  -2.156  -2.386  1.00  0.00           C  
HETATM    9  C   UNL     1       3.141  -0.001   2.789  1.00  0.00           C  
HETATM   10  C   UNL     1       2.728  -0.077   1.317  1.00  0.00           C  
HETATM   11  C   UNL     1       4.323  -2.382   0.315  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.982   0.970  -0.923  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.315  -0.155   0.602  1.00  0.00           C  
HETATM   14  O   UNL     1       2.529   3.602  -1.600  1.00  0.00           O  
HETATM   15  C   UNL     1       5.271  -0.940  -1.466  1.00  0.00           C  
HETATM   16  C   UNL     1       1.906   2.993  -0.569  1.00  0.00           C  
HETATM   17  C   UNL     1       3.960   0.070   0.406  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.055  -0.818  -0.475  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.221  -0.676  -0.578  1.00  0.00           N  
HETATM   20  N   UNL     1       3.698   1.282  -0.381  1.00  0.00           N  
HETATM   21  OXT UNL     1       0.870   3.455  -0.125  1.00  0.00           O  
HETATM   22  O   UNL     1       5.050   0.232  -2.253  1.00  0.00           O  
HETATM   23  O   UNL     1       3.412  -2.760   1.225  1.00  0.00           O  
HETATM   24  O   UNL     1       5.330  -3.032   0.162  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.221  -0.867   0.707  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.104  -1.355  -1.741  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.696  -0.627  -0.591  1.00  0.00           S  
HETATM   28  S   UNL     1       0.281   1.463   1.675  1.00  0.00           S  
HETATM   29  H   UNL     1      -3.000  -1.817   1.018  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.465   1.026   1.865  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.066  -0.507   2.706  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.212   1.187  -0.660  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.190  -0.241  -1.004  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.135  -0.897   1.317  1.00  0.00           H  
HETATM   35  H   UNL     1       3.174  -1.264  -1.093  1.00  0.00           H  
HETATM   36  H   UNL     1       4.485  -2.274  -2.965  1.00  0.00           H  
HETATM   37  H   UNL     1       6.243  -2.010  -3.064  1.00  0.00           H  
HETATM   38  H   UNL     1       5.570  -3.050  -1.786  1.00  0.00           H  
HETATM   39  H   UNL     1       2.252  -0.045   3.418  1.00  0.00           H  
HETATM   40  H   UNL     1       3.796  -0.839   3.026  1.00  0.00           H  
HETATM   41  H   UNL     1       3.668   0.936   2.970  1.00  0.00           H  
HETATM   42  H   UNL     1       2.213  -1.016   1.115  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.762   1.226  -1.440  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.369   1.649  -0.601  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.849  -0.286   1.543  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.225   0.908   0.380  1.00  0.00           H  
HETATM   47  H   UNL     1       2.078   4.396  -1.919  1.00  0.00           H  
HETATM   48  H   UNL     1       6.187  -0.822  -0.888  1.00  0.00           H  
HETATM   49  H   UNL     1       4.864   0.192   1.003  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.584  -1.368  -1.120  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.987  -1.592  -0.931  1.00  0.00           H  
HETATM   52  H   UNL     1       4.288   1.653  -1.055  1.00  0.00           H  
HETATM   53  H   UNL     1       4.250   0.197  -2.795  1.00  0.00           H  
HETATM   54  H   UNL     1       3.605  -3.560   1.734  1.00  0.00           H  
CONECT    1    2   13   19   29                                       
CONECT    2    4    1   30   31                                       
CONECT    3    4   19   32   33                                       
CONECT    4   28    2    3   34                                       
CONECT    5   10    6    6   28                                       
CONECT    6   20   16    5    5                                       
CONECT    7   11   15   17   35                                       
CONECT    8   15   36   37   38                                       
CONECT    9   10   39   40   41                                       
CONECT   10   17    9    5   42                                       
CONECT   11   23   24   24    7                                       
CONECT   12   27   43   44                                            
CONECT   13    1   18   45   46                                       
CONECT   14   16   47                                                 
CONECT   15    8    7   22   48                                       
CONECT   16    6   14   21   21                                       
CONECT   17    7   20   10   49                                       
CONECT   18   13   27   50                                            
CONECT   19    1    3   51                                            
CONECT   20   17    6   52                                            
CONECT   21   16   16                                                 
CONECT   22   15   53                                                 
CONECT   23   11   54                                                 
CONECT   24   11   11                                                 
CONECT   25   27   27                                                 
CONECT   26   27   27                                                 
CONECT   27   18   25   25   26                                       
CONECT   27   26   12                                                 
CONECT   28    5    4                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
