COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.297   0.193   0.287  1.00  0.00           C  
HETATM    2  C   UNL     1       0.930  -0.442  -0.372  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.678  -0.017   0.461  1.00  0.00           C  
HETATM    4  C   UNL     1       2.189   0.301   0.086  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.856  -0.767  -0.104  1.00  0.00           C  
HETATM    6  C   UNL     1       2.046   1.787  -0.261  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.246  -0.484   0.406  1.00  0.00           C  
HETATM    8  C   UNL     1       0.775   2.336   0.395  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.235  -1.361  -0.317  1.00  0.00           C  
HETATM   10  C   UNL     1       0.593   3.803   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.977  -2.205   0.356  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.677  -1.645  -1.018  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.480  -0.460  -0.179  1.00  0.00           O  
HETATM   14  O   UNL     1       5.266  -1.583  -0.491  1.00  0.00           O  
HETATM   15  O   UNL     1       1.021  -1.816   0.010  1.00  0.00           O  
HETATM   16  O   UNL     1       4.041  -0.885   1.573  1.00  0.00           O  
HETATM   17  O   UNL     1       3.332  -0.238  -0.580  1.00  0.00           O  
HETATM   18  O   UNL     1       3.225  -2.576   0.148  1.00  0.00           O  
HETATM   19  O   UNL     1       1.955   1.940  -1.678  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.567   0.889   0.175  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.353   1.580  -0.050  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.526   4.348   0.707  1.00  0.00           O  
HETATM   23  S   UNL     1       4.065  -1.308   0.217  1.00  0.00           S  
HETATM   24  H   UNL     1      -0.224   0.085   1.370  1.00  0.00           H  
HETATM   25  H   UNL     1       0.839  -0.371  -1.456  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.810   1.051   0.288  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.608  -0.205   1.533  1.00  0.00           H  
HETATM   28  H   UNL     1       2.307   0.188   1.163  1.00  0.00           H  
HETATM   29  H   UNL     1       2.912   2.334   0.111  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.289  -0.693   1.475  1.00  0.00           H  
HETATM   31  H   UNL     1       0.862   2.256   1.479  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.333  -1.293  -1.391  1.00  0.00           H  
HETATM   33  H   UNL     1       1.492   4.363   0.264  1.00  0.00           H  
HETATM   34  H   UNL     1       0.417   3.875  -1.069  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.879  -2.273   1.429  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.686  -2.833  -0.163  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.435  -2.128  -1.382  1.00  0.00           H  
HETATM   38  H   UNL     1       0.254  -2.346  -0.244  1.00  0.00           H  
HETATM   39  H   UNL     1       1.858   2.857  -1.970  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.548   1.146  -0.757  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.701   5.278   0.508  1.00  0.00           H  
HETATM   42  H   UNL     1       3.605  -3.325   0.627  1.00  0.00           H  
CONECT    1   21    2   13   24                                       
CONECT    2    4    1   15   25                                       
CONECT    3   13    5   26   27                                       
CONECT    4    6   17    2   28                                       
CONECT    5    3   12   12    7                                       
CONECT    6    8   19    4   29                                       
CONECT    7    5   20    9   30                                       
CONECT    8   10    6   21   31                                       
CONECT    9    7   11   11   32                                       
CONECT   10   22    8   33   34                                       
CONECT   11    9    9   35   36                                       
CONECT   12    5    5   37                                            
CONECT   13    1    3                                                 
CONECT   14   23   23                                                 
CONECT   15    2   38                                                 
CONECT   16   23   23                                                 
CONECT   17   23    4                                                 
CONECT   18   23   42                                                 
CONECT   19    6   39                                                 
CONECT   20    7   40                                                 
CONECT   21    8    1                                                 
CONECT   22   10   41                                                 
CONECT   23   14   14   16   16                                       
CONECT   23   18   17                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   18                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
