COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.334  -0.854  -1.041  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.544  -3.546   1.393  1.00  0.00           C  
HETATM    3  C   UNL     1       0.893  -1.369  -0.910  1.00  0.00           C  
HETATM    4  C   UNL     1       0.273   0.521  -2.419  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.864   1.946  -0.839  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.397   3.017   1.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.704   4.129   2.112  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.127   1.176   0.602  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.845   1.031  -0.569  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.536  -0.088  -1.530  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.412  -1.895  -0.152  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.601  -2.391   0.427  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.959  -3.883   1.870  1.00  0.00           C  
HETATM   14  C   UNL     1       2.366  -1.257  -1.207  1.00  0.00           C  
HETATM   15  C   UNL     1       3.015  -0.293  -0.211  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.051  -0.582  -1.445  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.614   1.842  -2.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.108   2.915   0.038  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.426   2.172   1.424  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.670  -1.886   0.147  1.00  0.00           O  
HETATM   21  O   UNL     1       4.412  -0.187  -0.492  1.00  0.00           O  
HETATM   22  O   UNL     1       5.505   0.189   1.870  1.00  0.00           O  
HETATM   23  O   UNL     1       6.872   0.722  -0.311  1.00  0.00           O  
HETATM   24  O   UNL     1       4.896   2.132   0.379  1.00  0.00           O  
HETATM   25  P   UNL     1       5.410   0.745   0.362  1.00  0.00           P  
HETATM   26  S   UNL     1       0.205  -2.515   0.150  1.00  0.00           S  
HETATM   27  H   UNL     1      -2.112  -4.415   0.896  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.928  -3.273   2.250  1.00  0.00           H  
HETATM   29  H   UNL     1       0.535   1.425  -1.870  1.00  0.00           H  
HETATM   30  H   UNL     1       1.113   0.219  -3.044  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.595   0.717  -3.048  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.448   3.789   2.832  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.793   4.415   2.638  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.093   4.989   1.566  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.328   0.490   0.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.327   0.327  -2.516  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.393  -0.760  -1.593  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.918  -4.719   2.568  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.391  -3.015   2.367  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.575  -4.156   1.013  1.00  0.00           H  
HETATM   41  H   UNL     1       2.831  -2.239  -1.117  1.00  0.00           H  
HETATM   42  H   UNL     1       2.505  -0.880  -2.220  1.00  0.00           H  
HETATM   43  H   UNL     1       2.551   0.689  -0.300  1.00  0.00           H  
HETATM   44  H   UNL     1       2.876  -0.670   0.803  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.271   2.522  -2.215  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.481   1.089  -2.597  1.00  0.00           H  
HETATM   47  H   UNL     1       5.835  -0.718   1.935  1.00  0.00           H  
HETATM   48  H   UNL     1       7.527   1.263   0.152  1.00  0.00           H  
CONECT    1   10   11   11   16                                       
CONECT    2   13   12   27   28                                       
CONECT    3   16   16   26   14                                       
CONECT    4   16   29   30   31                                       
CONECT    5    9   17   18   18                                       
CONECT    6   19   19   18    7                                       
CONECT    7    6   32   33   34                                       
CONECT    8    9    9   19   35                                       
CONECT    9   10    8    8    5                                       
CONECT   10    9    1   36   37                                       
CONECT   11   12    1    1   26                                       
CONECT   12   20   20    2   11                                       
CONECT   13    2   38   39   40                                       
CONECT   14    3   15   41   42                                       
CONECT   15   14   21   43   44                                       
CONECT   16    1    4    3    3                                       
CONECT   17    5   45   46                                            
CONECT   18    5    5    6                                            
CONECT   19    8    6    6                                            
CONECT   20   12   12                                                 
CONECT   21   15   25                                                 
CONECT   22   25   47                                                 
CONECT   23   25   48                                                 
CONECT   24   25   25                                                 
CONECT   25   21   24   24   22                                       
CONECT   25   23                                                      
CONECT   26   11    3                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
