COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       6.334   1.898   0.168  1.00  0.00           P  
HETATM    2  N   UNL     1       0.352  -1.126   0.145  1.00  0.00           N  
HETATM    3  C   UNL     1       0.349  -0.738  -1.140  1.00  0.00           C  
HETATM    4  O   UNL     1       1.395  -0.742  -1.758  1.00  0.00           O  
HETATM    5  N   UNL     1      -0.775  -0.347  -1.765  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.954  -0.332  -1.108  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.974   0.021  -1.669  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.977  -0.752   0.302  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.787  -1.143   0.885  1.00  0.00           C  
HETATM   10  C   UNL     1       1.612  -1.546   0.763  1.00  0.00           C  
HETATM   11  C   UNL     1       2.130  -2.826   0.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.232  -0.755   1.069  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.252  -1.202   2.201  1.00  0.00           O  
HETATM   14  N   UNL     1      -4.360  -0.264   0.519  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.582  -0.164   1.320  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.690   0.413   0.476  1.00  0.00           C  
HETATM   17  S   UNL     1      -7.053   2.126   0.314  1.00  0.00           S  
HETATM   18  C   UNL     1      -8.384   1.771  -0.780  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.479   0.452  -0.955  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.541  -0.297  -0.266  1.00  0.00           C  
HETATM   21  C   UNL     1       3.529  -2.432  -0.455  1.00  0.00           C  
HETATM   22  O   UNL     1       4.469  -3.489  -0.251  1.00  0.00           O  
HETATM   23  C   UNL     1       3.878  -1.205   0.424  1.00  0.00           C  
HETATM   24  O   UNL     1       2.610  -0.527   0.580  1.00  0.00           O  
HETATM   25  C   UNL     1       4.887  -0.302  -0.287  1.00  0.00           C  
HETATM   26  O   UNL     1       5.279   0.757   0.589  1.00  0.00           O  
HETATM   27  O   UNL     1       6.636   2.844   1.435  1.00  0.00           O  
HETATM   28  O   UNL     1       7.592   1.264  -0.286  1.00  0.00           O  
HETATM   29  O   UNL     1       5.718   2.784  -1.028  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.738  -0.074  -2.695  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.763  -1.458   1.917  1.00  0.00           H  
HETATM   32  H   UNL     1       1.461  -1.730   1.826  1.00  0.00           H  
HETATM   33  H   UNL     1       2.212  -3.639   0.800  1.00  0.00           H  
HETATM   34  H   UNL     1       1.473  -3.112  -0.743  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.362   0.024  -0.407  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.870  -1.156   1.668  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.403   0.485   2.177  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.026   2.508  -1.239  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.228   0.002  -1.590  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.503  -1.375  -0.322  1.00  0.00           H  
HETATM   41  H   UNL     1       3.480  -2.155  -1.508  1.00  0.00           H  
HETATM   42  H   UNL     1       4.244  -4.310  -0.711  1.00  0.00           H  
HETATM   43  H   UNL     1       4.265  -1.523   1.392  1.00  0.00           H  
HETATM   44  H   UNL     1       5.764  -0.886  -0.566  1.00  0.00           H  
HETATM   45  H   UNL     1       4.431   0.118  -1.183  1.00  0.00           H  
HETATM   46  H   UNL     1       7.265   3.556   1.254  1.00  0.00           H  
HETATM   47  H   UNL     1       4.891   3.230  -0.801  1.00  0.00           H  
CONECT    1   28   28   26   29                                       
CONECT    1   27                                                      
CONECT    2   10    3    9                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   30                                            
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   12                                       
CONECT    9    2    8    8   31                                       
CONECT   10    2   11   24   32                                       
CONECT   11   10   21   33   34                                       
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   35                                            
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   38                                       
CONECT   19   18   18   20   39                                       
CONECT   20   16   16   19   40                                       
CONECT   21   11   22   23   41                                       
CONECT   22   21   42                                                 
CONECT   23   21   25   24   43                                       
CONECT   24   10   23                                                 
CONECT   25   23   26   44   45                                       
CONECT   26    1   25                                                 
CONECT   27    1   46                                                 
CONECT   28    1    1                                                 
CONECT   29    1   47                                                 
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
