COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.199  -1.815  -0.500  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.014  -1.679   0.115  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.796  -2.272   1.145  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.955  -0.786  -0.479  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.793  -0.807   0.353  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.736  -0.049  -0.044  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.587  -0.031   0.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.824   0.700  -1.215  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.758   1.468  -1.622  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.589   1.502  -0.865  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.482   0.747   0.308  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.283   0.908   0.900  1.00  0.00           N  
HETATM   13  S   UNL     1      -2.070   2.363  -1.097  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.441   1.691   0.340  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.062   1.976   0.876  1.00  0.00           C  
HETATM   16  N   UNL     1       0.888   1.007   0.322  1.00  0.00           N  
HETATM   17  C   UNL     1       2.225   1.070   0.673  1.00  0.00           C  
HETATM   18  N   UNL     1       2.639   2.011   1.512  1.00  0.00           N  
HETATM   19  N   UNL     1       3.873   2.105   1.864  1.00  0.00           N  
HETATM   20  C   UNL     1       4.771   1.259   1.396  1.00  0.00           C  
HETATM   21  N   UNL     1       3.076   0.186   0.170  1.00  0.00           N  
HETATM   22  C   UNL     1       4.364   0.255   0.508  1.00  0.00           C  
HETATM   23  C   UNL     1       5.341  -0.715  -0.034  1.00  0.00           C  
HETATM   24  C   UNL     1       5.058  -2.086  -0.012  1.00  0.00           C  
HETATM   25  O   UNL     1       3.885  -2.530   0.508  1.00  0.00           O  
HETATM   26  C   UNL     1       3.665  -3.942   0.497  1.00  0.00           C  
HETATM   27  C   UNL     1       6.550  -0.268  -0.577  1.00  0.00           C  
HETATM   28  O   UNL     1       6.833   1.059  -0.608  1.00  0.00           O  
HETATM   29  C   UNL     1       8.087   1.443  -1.178  1.00  0.00           C  
HETATM   30  C   UNL     1       7.459  -1.184  -1.083  1.00  0.00           C  
HETATM   31  C   UNL     1       7.173  -2.536  -1.052  1.00  0.00           C  
HETATM   32  C   UNL     1       5.979  -2.987  -0.522  1.00  0.00           C  
HETATM   33  H   UNL     1     -10.847  -2.398  -0.081  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.695  -1.145  -1.475  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.335   0.233  -0.547  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.530  -0.615   1.619  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.729   0.676  -1.804  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.828   2.047  -2.531  1.00  0.00           H  
HETATM   39  H   UNL     1       0.239   2.984   0.589  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.070   1.895   1.963  1.00  0.00           H  
HETATM   41  H   UNL     1       0.579   0.322  -0.291  1.00  0.00           H  
HETATM   42  H   UNL     1       5.806   1.340   1.693  1.00  0.00           H  
HETATM   43  H   UNL     1       2.693  -4.161   0.940  1.00  0.00           H  
HETATM   44  H   UNL     1       3.687  -4.306  -0.530  1.00  0.00           H  
HETATM   45  H   UNL     1       4.447  -4.436   1.074  1.00  0.00           H  
HETATM   46  H   UNL     1       8.186   2.527  -1.140  1.00  0.00           H  
HETATM   47  H   UNL     1       8.898   0.984  -0.612  1.00  0.00           H  
HETATM   48  H   UNL     1       8.132   1.109  -2.214  1.00  0.00           H  
HETATM   49  H   UNL     1       8.393  -0.841  -1.503  1.00  0.00           H  
HETATM   50  H   UNL     1       7.886  -3.245  -1.448  1.00  0.00           H  
HETATM   51  H   UNL     1       5.762  -4.045  -0.505  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   34   35                                       
CONECT    5    6    4                                                 
CONECT    6    7    7    8    5                                       
CONECT    7   11    6    6   36                                       
CONECT    8    9    9    6   37                                       
CONECT    9   10    8    8   38                                       
CONECT   10   13   11   11    9                                       
CONECT   11   12   10   10    7                                       
CONECT   12   14   14   11                                            
CONECT   13   14   10                                                 
CONECT   14   15   12   12   13                                       
CONECT   15   16   14   39   40                                       
CONECT   16   15   17   41                                            
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20                                            
CONECT   20   19   19   22   42                                       
CONECT   21   17   22   22                                            
CONECT   22   21   21   20   23                                       
CONECT   23   22   24   24   27                                       
CONECT   24   25   23   23   32                                       
CONECT   25   24   26                                                 
CONECT   26   25   43   44   45                                       
CONECT   27   23   28   30   30                                       
CONECT   28   27   29                                                 
CONECT   29   28   46   47   48                                       
CONECT   30   27   27   31   49                                       
CONECT   31   32   32   30   50                                       
CONECT   32   24   31   31   51                                       
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
