COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.158   1.846  -0.289  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.386   0.717   0.085  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.954  -0.143   0.945  1.00  0.00           N1+
HETATM    4  C   UNL     1      -0.710  -0.004   1.359  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.058   1.029   0.818  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.773   0.724  -0.505  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.592   1.848   0.132  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.690   0.936  -1.916  1.00  0.00           O  
HETATM    9  P   UNL     1       4.907   0.525  -0.441  1.00  0.00           P  
HETATM   10  P   UNL     1       7.824   0.634   0.072  1.00  0.00           P  
HETATM   11  N   UNL     1      -1.538  -3.557  -1.168  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.035   1.778  -0.373  1.00  0.00           C  
HETATM   13  O   UNL     1      -9.180   3.727   0.194  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.854   2.902   0.264  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.599   1.972  -1.018  1.00  0.00           O  
HETATM   16  C   UNL     1      -8.274   2.833  -0.234  1.00  0.00           C  
HETATM   17  O   UNL     1       4.889  -0.955  -0.421  1.00  0.00           O  
HETATM   18  O   UNL     1       8.083  -0.746   0.861  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.279  -4.623  -0.947  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.082  -5.843  -1.810  1.00  0.00           C  
HETATM   21  O   UNL     1       4.809   1.043  -1.962  1.00  0.00           O  
HETATM   22  O   UNL     1       8.153   0.453  -1.359  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.188  -4.653   0.007  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.808  -1.225   1.439  1.00  0.00           C  
HETATM   25  O   UNL     1       6.277   1.054   0.219  1.00  0.00           O  
HETATM   26  O   UNL     1       8.755   1.791   0.695  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.387  -3.595   0.787  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.343  -3.630   1.789  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.076  -0.935   2.361  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.618  -2.448   0.580  1.00  0.00           C  
HETATM   31  C   UNL     1       1.368   1.426   1.105  1.00  0.00           C  
HETATM   32  C   UNL     1       2.302   0.712   0.127  1.00  0.00           C  
HETATM   33  O   UNL     1       3.654   1.088   0.399  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.678  -2.463  -0.431  1.00  0.00           C  
HETATM   35  H   UNL     1      -4.256  -0.234  -0.309  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.581   1.736   1.217  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.159   2.811  -0.138  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.270   1.771  -2.164  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.045   1.890  -1.457  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.468   0.815  -0.103  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.843   2.790   1.348  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.421   3.865  -0.006  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.331  -6.490  -1.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.025  -6.384  -1.894  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.749  -5.537  -2.802  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.538  -1.459   2.469  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.851  -0.911   1.399  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.926  -4.400   1.877  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.429  -2.885   2.404  1.00  0.00           H  
HETATM   50  H   UNL     1       0.395  -1.766   1.836  1.00  0.00           H  
HETATM   51  H   UNL     1       0.676  -0.394   2.934  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.842  -1.318   3.036  1.00  0.00           H  
HETATM   53  H   UNL     1       1.475   2.504   0.989  1.00  0.00           H  
HETATM   54  H   UNL     1       1.625   1.142   2.126  1.00  0.00           H  
HETATM   55  H   UNL     1       2.195  -0.367   0.243  1.00  0.00           H  
HETATM   56  H   UNL     1       2.045   0.995  -0.894  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.065  -1.594  -0.621  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.078   3.642  -0.154  1.00  0.00           H  
HETATM   59  H   UNL     1       7.888  -0.700   1.807  1.00  0.00           H  
HETATM   60  H   UNL     1       4.816   2.006  -2.051  1.00  0.00           H  
HETATM   61  H   UNL     1       9.703   1.605   0.641  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5   29                                       
CONECT    5    1    4    4   31                                       
CONECT    6    2    7    8   35                                       
CONECT    7    6   12   36   37                                       
CONECT    8    6   38                                                 
CONECT    9   17   17   21   25                                       
CONECT    9   33                                                      
CONECT   10   18   22   22   25                                       
CONECT   10   26                                                      
CONECT   11   19   19   34                                            
CONECT   12    7   14   39   40                                       
CONECT   13   16   58                                                 
CONECT   14   12   16   41   42                                       
CONECT   15   16   16                                                 
CONECT   16   13   14   15   15                                       
CONECT   17    9    9                                                 
CONECT   18   10   59                                                 
CONECT   19   11   11   20   23                                       
CONECT   20   19   43   44   45                                       
CONECT   21    9   60                                                 
CONECT   22   10   10                                                 
CONECT   23   19   27   27                                            
CONECT   24    3   30   46   47                                       
CONECT   25    9   10                                                 
CONECT   26   10   61                                                 
CONECT   27   23   23   28   30                                       
CONECT   28   27   48   49                                            
CONECT   29    4   50   51   52                                       
CONECT   30   24   27   34   34                                       
CONECT   31    5   32   53   54                                       
CONECT   32   31   33   55   56                                       
CONECT   33    9   32                                                 
CONECT   34   11   30   30   57                                       
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   34                                                      
CONECT   58   13                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   26                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
