COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.285  -0.024   0.610  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.648   0.950   0.870  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.318  -1.216  -0.380  1.00  0.00           C  
HETATM    4  C   UNL     1       0.999  -1.956  -0.041  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.438   1.255   0.269  1.00  0.00           C  
HETATM    6  C   UNL     1       1.863  -0.888   0.658  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.766   2.451  -0.379  1.00  0.00           C  
HETATM    8  C   UNL     1       3.174  -0.697  -0.109  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.114   2.879  -0.371  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.631   2.158  -0.612  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.948  -2.715  -1.298  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.153  -3.577  -0.918  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.400  -3.446  -0.095  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.028   2.106   0.256  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.599   0.185   1.498  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.398   0.544   0.873  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.619   2.955  -0.897  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.090   1.090   0.103  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.450  -2.053  -0.133  1.00  0.00           O  
HETATM   20  O   UNL     1       0.745  -3.052   0.841  1.00  0.00           O  
HETATM   21  O   UNL     1       1.112   0.338   0.655  1.00  0.00           O  
HETATM   22  O   UNL     1       4.010   0.221   0.599  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.444   3.915  -0.923  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.220  -2.736  -0.476  1.00  0.00           O  
HETATM   25  O   UNL     1       6.276   1.367   1.278  1.00  0.00           O  
HETATM   26  P   UNL     1       5.470   0.656   0.080  1.00  0.00           P  
HETATM   27  S   UNL     1       6.404  -0.854  -0.487  1.00  0.00           S  
HETATM   28  H   UNL     1      -0.636  -0.333   1.595  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.313  -0.865  -1.412  1.00  0.00           H  
HETATM   30  H   UNL     1       1.486  -2.305  -0.951  1.00  0.00           H  
HETATM   31  H   UNL     1       2.073  -1.193   1.683  1.00  0.00           H  
HETATM   32  H   UNL     1       3.684  -1.656  -0.202  1.00  0.00           H  
HETATM   33  H   UNL     1       2.960  -0.301  -1.102  1.00  0.00           H  
HETATM   34  H   UNL     1       0.398   2.317  -0.899  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.166  -3.347  -1.718  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.251  -1.972  -2.036  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.478  -4.150  -1.786  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.873  -4.260  -0.116  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.163  -2.737   0.228  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.772  -4.017  -0.946  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.167  -4.127   0.724  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.960   2.375   0.268  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.526   0.470   1.500  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.343  -0.640   1.939  1.00  0.00           H  
HETATM   45  H   UNL     1       1.536  -3.551   1.086  1.00  0.00           H  
HETATM   46  H   UNL     1       7.167   1.657   1.036  1.00  0.00           H  
HETATM   47  O   UNL     1       5.318   1.686  -1.149  1.00  0.00           O  
HETATM   48  H   UNL     1       4.841   2.497  -0.926  1.00  0.00           H  
CONECT    1   21    3   18   28                                       
CONECT    2   16   16   14   15                                       
CONECT    3    4    1   19   29                                       
CONECT    4    6   20    3   30                                       
CONECT    5   18    7    7   16                                       
CONECT    6    8   21    4   31                                       
CONECT    7   17    5    5    9                                       
CONECT    8   22    6   32   33                                       
CONECT    9    7   23   23   14                                       
CONECT   10   18   17   17   34                                       
CONECT   11   19   12   35   36                                       
CONECT   12   24   11   37   38                                       
CONECT   13   24   39   40   41                                       
CONECT   14    9    2   42                                            
CONECT   15    2   43   44                                            
CONECT   16    5    2    2                                            
CONECT   17   10   10    7                                            
CONECT   18    1   10    5                                            
CONECT   19    3   11                                                 
CONECT   20    4   45                                                 
CONECT   21    6    1                                                 
CONECT   22   26    8                                                 
CONECT   23    9    9                                                 
CONECT   24   13   12                                                 
CONECT   25   26   46                                                 
CONECT   26   25   22   27   27                                       
CONECT   26   47                                                      
CONECT   27   26   26                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   26   48                                                 
CONECT   48   47                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
