COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.382  -0.783  -0.172  1.00  0.00           C  
HETATM    2  C   UNL     1       4.629   0.082   0.208  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.184  -4.200  -0.987  1.00  0.00           C  
HETATM    4  C   UNL     1       4.886  -0.150   1.699  1.00  0.00           C  
HETATM    5  C   UNL     1       5.383   1.305  -0.247  1.00  0.00           C  
HETATM    6  N   UNL     1       0.338  -1.782  -1.014  1.00  0.00           N  
HETATM    7  N   UNL     1       3.194   0.282  -0.014  1.00  0.00           N  
HETATM    8  C   UNL     1       0.403  -2.960  -0.362  1.00  0.00           C  
HETATM    9  C   UNL     1       0.213  -0.300   0.927  1.00  0.00           C  
HETATM   10  C   UNL     1       0.908  -0.577  -0.407  1.00  0.00           C  
HETATM   11  O   UNL     1       0.933  -3.022   0.727  1.00  0.00           O  
HETATM   12  O   UNL     1       2.839  -1.905  -0.130  1.00  0.00           O  
HETATM   13  N   UNL     1       6.725   1.348  -0.138  1.00  0.00           N  
HETATM   14  O   UNL     1       4.781   2.250  -0.712  1.00  0.00           O  
HETATM   15  O   UNL     1       7.434   2.497  -0.566  1.00  0.00           O  
HETATM   16  S   UNL     1      -5.594   1.007  -0.063  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.180  -0.984   0.662  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.842   0.931  -1.699  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.767   2.368   0.306  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.238   0.027   0.679  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.347  -0.055   0.507  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.625   1.337   0.470  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.955   1.636   0.243  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.898   0.626   0.226  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.510  -0.686   0.429  1.00  0.00           C  
HETATM   26  H   UNL     1       4.967  -0.785  -0.358  1.00  0.00           H  
HETATM   27  H   UNL     1       0.311  -4.398  -1.937  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.038  -5.048  -0.317  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.250  -4.051  -1.157  1.00  0.00           H  
HETATM   30  H   UNL     1       4.341  -1.035   2.028  1.00  0.00           H  
HETATM   31  H   UNL     1       5.953  -0.299   1.864  1.00  0.00           H  
HETATM   32  H   UNL     1       4.548   0.717   2.265  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.086  -1.733  -1.885  1.00  0.00           H  
HETATM   34  H   UNL     1       2.829   1.180  -0.048  1.00  0.00           H  
HETATM   35  H   UNL     1       0.283  -1.182   1.564  1.00  0.00           H  
HETATM   36  H   UNL     1       0.696   0.544   1.420  1.00  0.00           H  
HETATM   37  H   UNL     1       0.762   0.271  -1.076  1.00  0.00           H  
HETATM   38  H   UNL     1       7.206   0.592   0.234  1.00  0.00           H  
HETATM   39  H   UNL     1       8.391   2.435  -0.448  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.878  -2.008   0.826  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.711   0.677  -2.046  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.118   1.141  -2.309  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.889   2.127   0.483  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.258   2.660   0.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.246  -1.475   0.415  1.00  0.00           H  
CONECT    1   10    7   12   12                                       
CONECT    2    7    5    4   26                                       
CONECT    3    8   27   28   29                                       
CONECT    4    2   30   31   32                                       
CONECT    5   14   14    2   13                                       
CONECT    6    8   10   33                                            
CONECT    7    1    2   34                                            
CONECT    8   11   11    3    6                                       
CONECT    9   20   10   35   36                                       
CONECT   10    9    6    1   37                                       
CONECT   11    8    8                                                 
CONECT   12    1    1                                                 
CONECT   13    5   15   38                                            
CONECT   14    5    5                                                 
CONECT   15   13   39                                                 
CONECT   16   18   21   21   24                                       
CONECT   16   19   19                                                 
CONECT   17   25   25   20   40                                       
CONECT   18   16   41   42                                            
CONECT   19   16   16                                                 
CONECT   20   17    9   22   22                                       
CONECT   21   16   16                                                 
CONECT   22   20   20   23   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   25   16   23   23                                       
CONECT   25   17   17   24   45                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
