COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.502  -0.450   0.590  1.00  0.00           C  
HETATM    2  C   UNL     1       3.908  -2.688   0.058  1.00  0.00           C  
HETATM    3  C   UNL     1       2.535  -2.854  -0.244  1.00  0.00           C  
HETATM    4  C   UNL     1       1.702  -1.798  -0.118  1.00  0.00           C  
HETATM    5  C   UNL     1       1.292   0.553   0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       1.314   1.395  -0.861  1.00  0.00           C  
HETATM    7  C   UNL     1       0.060   0.866  -1.610  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.486   1.870  -2.468  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.894   0.563  -0.430  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.953  -0.470  -0.820  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.879  -0.633   0.257  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.539   1.891  -0.001  1.00  0.00           C  
HETATM   13  P   UNL     1      -4.129  -1.645   0.193  1.00  0.00           P  
HETATM   14  O   UNL     1      -4.949  -1.341  -1.001  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.589  -3.159   0.102  1.00  0.00           O  
HETATM   16  N   UNL     1       1.000   2.787  -0.461  1.00  0.00           N  
HETATM   17  C   UNL     1       1.734   3.931  -1.008  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.233   2.983   0.643  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.610   4.347   0.518  1.00  0.00           O  
HETATM   20  O   UNL     1       0.295   2.472   1.860  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.050   0.095   0.632  1.00  0.00           O  
HETATM   22  N   UNL     1       2.195  -0.593   0.301  1.00  0.00           N  
HETATM   23  C   UNL     1       2.010  -4.190  -0.705  1.00  0.00           C  
HETATM   24  N   UNL     1       4.354  -1.484   0.468  1.00  0.00           N  
HETATM   25  O   UNL     1       3.918   0.631   0.961  1.00  0.00           O  
HETATM   26  O   UNL     1       4.679  -3.625  -0.052  1.00  0.00           O  
HETATM   27  H   UNL     1       0.652  -1.906  -0.344  1.00  0.00           H  
HETATM   28  H   UNL     1       1.600   1.168   1.282  1.00  0.00           H  
HETATM   29  H   UNL     1       2.244   1.306  -1.422  1.00  0.00           H  
HETATM   30  H   UNL     1       0.292  -0.040  -2.170  1.00  0.00           H  
HETATM   31  H   UNL     1       0.118   2.165  -3.163  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.485  -0.128  -1.708  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.470  -1.424  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.020   2.361  -0.859  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.279   1.705   0.778  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.043  -3.428   0.853  1.00  0.00           H  
HETATM   37  H   UNL     1       1.238   4.283  -1.912  1.00  0.00           H  
HETATM   38  H   UNL     1       1.757   4.734  -0.271  1.00  0.00           H  
HETATM   39  H   UNL     1       2.753   3.628  -1.247  1.00  0.00           H  
HETATM   40  H   UNL     1       2.830  -4.907  -0.746  1.00  0.00           H  
HETATM   41  H   UNL     1       1.253  -4.543  -0.005  1.00  0.00           H  
HETATM   42  H   UNL     1       1.569  -4.084  -1.696  1.00  0.00           H  
HETATM   43  H   UNL     1       5.294  -1.362   0.677  1.00  0.00           H  
HETATM   44  O   UNL     1      -5.027  -1.474   1.518  1.00  0.00           O  
HETATM   45  H   UNL     1      -5.799  -2.054   1.548  1.00  0.00           H  
CONECT    1   24   22   25   25                                       
CONECT    2   26   26    3   24                                       
CONECT    3   23    2    4    4                                       
CONECT    4    3    3   22   27                                       
CONECT    5   22   21    6   28                                       
CONECT    6    5    7   16   29                                       
CONECT    7    9    6    8   30                                       
CONECT    8    7   31                                                 
CONECT    9   10   21    7   12                                       
CONECT   10   11    9   32   33                                       
CONECT   11   13   10                                                 
CONECT   12    9   18   34   35                                       
CONECT   13   15   14   14   11                                       
CONECT   13   44                                                      
CONECT   14   13   13                                                 
CONECT   15   13   36                                                 
CONECT   16    6   18   17                                            
CONECT   17   16   37   38   39                                       
CONECT   18   12   20   20   16                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    5    9                                                 
CONECT   22    4    1    5                                            
CONECT   23    3   40   41   42                                       
CONECT   24    2    1   43                                            
CONECT   25    1    1                                                 
CONECT   26    2    2                                                 
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   13   45                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
