COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.592  -1.245  -4.964  1.00  0.00           P  
HETATM    2  O   UNL     1       0.339  -0.227  -4.868  1.00  0.00           O  
HETATM    3  O   UNL     1       2.575  -0.951  -6.059  1.00  0.00           O  
HETATM    4  O   UNL     1       0.886  -2.697  -5.051  1.00  0.00           O  
HETATM    5  O   UNL     1       2.211  -1.232  -3.468  1.00  0.00           O  
HETATM    6  C   UNL     1       1.348  -1.500  -2.377  1.00  0.00           C  
HETATM    7  C   UNL     1       2.156  -1.432  -1.088  1.00  0.00           C  
HETATM    8  O   UNL     1       2.678  -0.093  -0.958  1.00  0.00           O  
HETATM    9  C   UNL     1       1.309  -1.697   0.152  1.00  0.00           C  
HETATM   10  O   UNL     1       2.127  -2.250   1.180  1.00  0.00           O  
HETATM   11  C   UNL     1       0.878  -0.312   0.578  1.00  0.00           C  
HETATM   12  C   UNL     1       2.101   0.516   0.211  1.00  0.00           C  
HETATM   13  N   UNL     1       1.818   1.923  -0.049  1.00  0.00           N  
HETATM   14  C   UNL     1       1.431   2.463  -1.253  1.00  0.00           C  
HETATM   15  N   UNL     1       1.247   3.767  -1.185  1.00  0.00           N  
HETATM   16  C   UNL     1       1.528   4.070   0.114  1.00  0.00           C  
HETATM   17  C   UNL     1       1.494   5.351   0.765  1.00  0.00           C  
HETATM   18  O   UNL     1       1.191   6.394   0.200  1.00  0.00           O  
HETATM   19  N   UNL     1       1.853   5.233   2.115  1.00  0.00           N  
HETATM   20  C   UNL     1       2.203   4.026   2.765  1.00  0.00           C  
HETATM   21  N   UNL     1       2.519   4.145   4.093  1.00  0.00           N  
HETATM   22  N   UNL     1       2.225   2.866   2.144  1.00  0.00           N  
HETATM   23  C   UNL     1       1.882   2.959   0.840  1.00  0.00           C  
HETATM   24  C   UNL     1       2.890   2.990   4.858  1.00  0.00           C  
HETATM   25  C   UNL     1       3.209   3.316   6.311  1.00  0.00           C  
HETATM   26  S   UNL     1       4.617   4.457   6.466  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.163  -0.014  -5.684  1.00  0.00           H  
HETATM   28  H   UNL     1       0.508  -2.990  -5.907  1.00  0.00           H  
HETATM   29  H   UNL     1       0.551  -0.756  -2.359  1.00  0.00           H  
HETATM   30  H   UNL     1       0.917  -2.495  -2.497  1.00  0.00           H  
HETATM   31  H   UNL     1       3.008  -2.117  -1.157  1.00  0.00           H  
HETATM   32  H   UNL     1       0.475  -2.383  -0.018  1.00  0.00           H  
HETATM   33  H   UNL     1       2.928  -1.706   1.218  1.00  0.00           H  
HETATM   34  H   UNL     1       0.008   0.008  -0.009  1.00  0.00           H  
HETATM   35  H   UNL     1       0.635  -0.225   1.641  1.00  0.00           H  
HETATM   36  H   UNL     1       2.853   0.503   1.007  1.00  0.00           H  
HETATM   37  H   UNL     1       1.302   1.855  -2.139  1.00  0.00           H  
HETATM   38  H   UNL     1       1.862   6.083   2.672  1.00  0.00           H  
HETATM   39  H   UNL     1       2.476   5.055   4.478  1.00  0.00           H  
HETATM   40  H   UNL     1       2.038   2.303   4.819  1.00  0.00           H  
HETATM   41  H   UNL     1       3.732   2.506   4.352  1.00  0.00           H  
HETATM   42  H   UNL     1       2.344   3.763   6.810  1.00  0.00           H  
HETATM   43  H   UNL     1       3.469   2.395   6.843  1.00  0.00           H  
HETATM   44  H   UNL     1       4.337   4.854   7.714  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1    5                                                      
CONECT    2    1   27                                                 
CONECT    3    1    1                                                 
CONECT    4    1   28                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   29   30                                       
CONECT    7    6    8    9   31                                       
CONECT    8    7   12                                                 
CONECT    9    7   10   11   32                                       
CONECT   10    9   33                                                 
CONECT   11    9   12   34   35                                       
CONECT   12    8   11   13   36                                       
CONECT   13   12   14   23                                            
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   23   23                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   38                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   24   39                                            
CONECT   22   20   20   23                                            
CONECT   23   13   16   16   22                                       
CONECT   24   21   25   40   41                                       
CONECT   25   24   26   42   43                                       
CONECT   26   25   44                                                 
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
