COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.770  -1.758  -0.489  1.00  0.00           C  
HETATM    2  C   UNL     1       1.789  -0.902  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       2.898  -1.419   0.540  1.00  0.00           C  
HETATM    4  N   UNL     1       2.995  -2.711   0.788  1.00  0.00           N  
HETATM    5  C   UNL     1       0.905  -3.115  -0.212  1.00  0.00           C  
HETATM    6  O   UNL     1       2.970   3.226  -1.434  1.00  0.00           O  
HETATM    7  P   UNL     1       3.091   2.821  -0.016  1.00  0.00           P  
HETATM    8  O   UNL     1       4.561   3.193   0.524  1.00  0.00           O  
HETATM    9  O   UNL     1       1.985   3.597   0.860  1.00  0.00           O  
HETATM   10  O   UNL     1       2.859   1.233   0.111  1.00  0.00           O  
HETATM   11  C   UNL     1       1.689   0.576  -0.382  1.00  0.00           C  
HETATM   12  C   UNL     1       2.049  -3.559   0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       2.209  -5.025   0.745  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.069  -3.992  -0.570  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.458  -1.232  -1.187  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.472  -0.872  -0.187  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.686  -0.353  -0.832  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.717   0.010   0.238  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.981   0.550  -0.434  1.00  0.00           C  
HETATM   20  S   UNL     1      -6.204   0.982   0.835  1.00  0.00           S  
HETATM   21  C   UNL     1      -7.607   1.591  -0.140  1.00  0.00           C  
HETATM   22  H   UNL     1       3.695  -0.757   0.843  1.00  0.00           H  
HETATM   23  H   UNL     1       4.771   4.136   0.478  1.00  0.00           H  
HETATM   24  H   UNL     1       2.007   3.380   1.802  1.00  0.00           H  
HETATM   25  H   UNL     1       1.607   0.738  -1.456  1.00  0.00           H  
HETATM   26  H   UNL     1       0.808   0.981   0.116  1.00  0.00           H  
HETATM   27  H   UNL     1       2.709  -5.518  -0.089  1.00  0.00           H  
HETATM   28  H   UNL     1       2.808  -5.143   1.648  1.00  0.00           H  
HETATM   29  H   UNL     1       1.228  -5.474   0.897  1.00  0.00           H  
HETATM   30  H   UNL     1       0.046  -4.366  -1.455  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.194  -0.350  -1.771  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.438   0.534  -1.414  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.101  -1.116  -1.492  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.966  -0.877   0.820  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.303   0.773   0.898  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.733   1.438  -1.016  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.396  -0.212  -1.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.292   2.453  -0.729  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.955   0.803  -0.807  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.415   1.884   0.530  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.857  -2.000  -1.849  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.105  -0.208   0.478  1.00  0.00           H  
CONECT    1   15    5    5    2                                       
CONECT    2    1   11    3    3                                       
CONECT    3    2    2    4   22                                       
CONECT    4   12   12    3                                            
CONECT    5   14    1    1   12                                       
CONECT    6    7    7                                                 
CONECT    7    6    6    9   10                                       
CONECT    7    8                                                      
CONECT    8    7   23                                                 
CONECT    9    7   24                                                 
CONECT   10   11    7                                                 
CONECT   11    2   10   25   26                                       
CONECT   12    5   13    4    4                                       
CONECT   13   12   27   28   29                                       
CONECT   14    5   30                                                 
CONECT   15   16    1   31   41                                       
CONECT   16   17   15   42                                            
CONECT   17   18   16   32   33                                       
CONECT   18   19   17   34   35                                       
CONECT   19   20   18   36   37                                       
CONECT   20   19   21                                                 
CONECT   21   20   38   39   40                                       
CONECT   22    3                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
