COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.779  -4.448   0.414  1.00  0.00           C  
HETATM    2  C   UNL     1       0.600  -1.870  -0.269  1.00  0.00           C  
HETATM    3  C   UNL     1       1.579  -0.903  -0.141  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.052   0.727  -0.103  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.736  -1.465  -0.317  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.068  -1.750  -0.465  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.152  -2.811  -0.668  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.681  -3.403   0.627  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.302  -1.028   0.864  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.404   2.162  -0.010  1.00  0.00           C  
HETATM   11  C   UNL     1       0.592   3.122   0.119  1.00  0.00           C  
HETATM   12  C   UNL     1       0.261   4.463   0.206  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.057   4.870   0.165  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.075   3.932   0.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.751   2.567  -0.058  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.021   1.856  -0.190  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.994   2.783  -0.175  1.00  0.00           C  
HETATM   18  C   UNL     1       3.034  -1.293  -0.093  1.00  0.00           C  
HETATM   19  C   UNL     1       3.850   0.841   1.556  1.00  0.00           C  
HETATM   20  C   UNL     1       3.400  -2.559   0.684  1.00  0.00           C  
HETATM   21  C   UNL     1       3.451  -2.558  -0.845  1.00  0.00           C  
HETATM   22  N   UNL     1       1.225   0.370  -0.061  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.020  -0.170  -0.237  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.750  -2.401  -0.445  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.448   4.028  -0.032  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.050  -3.794   0.366  1.00  0.00           O  
HETATM   27  O   UNL     1       5.530  -0.448  -0.016  1.00  0.00           O  
HETATM   28  O   UNL     1       3.866   1.008  -1.075  1.00  0.00           O  
HETATM   29  S   UNL     1       4.213   0.084  -0.052  1.00  0.00           S  
HETATM   30  H   UNL     1      -2.604  -4.973  -0.525  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.768  -5.162   1.238  1.00  0.00           H  
HETATM   32  H   UNL     1       0.863  -2.916  -0.336  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.106  -1.029  -1.282  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.135  -2.340  -0.627  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.018  -3.288  -1.639  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.825  -2.916   1.592  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.706  -3.891   0.608  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.263  -1.749   1.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.528  -0.273   1.008  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.280  -0.547   0.849  1.00  0.00           H  
HETATM   41  H   UNL     1       1.629   2.821   0.152  1.00  0.00           H  
HETATM   42  H   UNL     1       1.043   5.201   0.306  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.298   5.920   0.234  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.153   0.789  -0.290  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.051   2.575  -0.254  1.00  0.00           H  
HETATM   46  H   UNL     1       4.102   0.140   2.352  1.00  0.00           H  
HETATM   47  H   UNL     1       4.441   1.750   1.672  1.00  0.00           H  
HETATM   48  H   UNL     1       2.790   1.087   1.611  1.00  0.00           H  
HETATM   49  H   UNL     1       4.350  -2.565   1.220  1.00  0.00           H  
HETATM   50  H   UNL     1       2.589  -3.110   1.161  1.00  0.00           H  
HETATM   51  H   UNL     1       2.673  -3.108  -1.375  1.00  0.00           H  
HETATM   52  H   UNL     1       4.434  -2.563  -1.316  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.951   4.857   0.006  1.00  0.00           H  
CONECT    1   26    8   30   31                                       
CONECT    2    5    5    3   32                                       
CONECT    3    2   18   22   22                                       
CONECT    4   23   23   22   10                                       
CONECT    5   24    2    2   23                                       
CONECT    6    7   24    9   33                                       
CONECT    7   26    6   34   35                                       
CONECT    8    1   24   36   37                                       
CONECT    9    6   38   39   40                                       
CONECT   10    4   15   15   11                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   14   14   12   43                                       
CONECT   14   15   25   13   13                                       
CONECT   15   16   10   10   14                                       
CONECT   16   17   17   15   44                                       
CONECT   17   16   16   25   45                                       
CONECT   18   21   20    3   29                                       
CONECT   19   29   46   47   48                                       
CONECT   20   21   18   49   50                                       
CONECT   21   20   18   51   52                                       
CONECT   22    3    3    4                                            
CONECT   23    5    4    4                                            
CONECT   24    8    5    6                                            
CONECT   25   17   14   53                                            
CONECT   26    1    7                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   18   19   28   28                                       
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
