COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.672  -0.066  -1.102  1.00  0.00           O  
HETATM    2  S   UNL     1       5.621   0.164   0.299  1.00  0.00           S  
HETATM    3  O   UNL     1       6.670  -0.114   1.217  1.00  0.00           O  
HETATM    4  O   UNL     1       5.307   1.644   0.465  1.00  0.00           O  
HETATM    5  N   UNL     1       4.308  -0.684   0.847  1.00  0.00           N  
HETATM    6  C   UNL     1       3.084  -0.582   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1       2.341  -1.725  -0.089  1.00  0.00           C  
HETATM    8  C   UNL     1       2.606   0.662  -0.210  1.00  0.00           C  
HETATM    9  C   UNL     1       1.398   0.758  -0.873  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659  -0.380  -1.136  1.00  0.00           C  
HETATM   11  C   UNL     1       1.131  -1.620  -0.746  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.662  -0.270  -1.853  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.785  -0.093  -0.830  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.542   1.160  -0.029  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.407   1.095   1.170  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.477   2.350  -0.648  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.243   3.557   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.814  -1.282   0.095  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.017  -2.513  -0.400  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.045  -3.659   0.491  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.653  -1.128   1.283  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.126   0.019  -1.558  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.232   0.193  -0.550  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.876  -0.915  -0.032  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.888  -0.756   0.896  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.263   0.513   1.299  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.623   1.621   0.776  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.608   1.461  -0.149  1.00  0.00           C  
HETATM   29  H   UNL     1       6.079   2.130   0.143  1.00  0.00           H  
HETATM   30  H   UNL     1       4.389  -1.252   1.629  1.00  0.00           H  
HETATM   31  H   UNL     1       2.709  -2.693   0.215  1.00  0.00           H  
HETATM   32  H   UNL     1       3.181   1.552  -0.001  1.00  0.00           H  
HETATM   33  H   UNL     1       1.027   1.725  -1.178  1.00  0.00           H  
HETATM   34  H   UNL     1       0.553  -2.508  -0.957  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.837  -1.177  -2.432  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.641   0.590  -2.522  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.222   4.418  -0.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.044   3.683   0.853  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.288   3.478   0.643  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.220  -4.566  -0.088  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.090  -3.739   1.010  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.845  -3.533   1.220  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.105   0.879  -2.227  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.301  -0.888  -2.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.583  -1.906  -0.346  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.387  -1.622   1.305  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.055   0.637   2.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.916   2.612   1.091  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.108   2.327  -0.557  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   29                                                 
CONECT    5    2    6   30                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   11   31                                       
CONECT    8    6    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   12                                       
CONECT   11    7   10   10   34                                       
CONECT   12   10   13   35   36                                       
CONECT   13   12   14   18   22                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17                                                 
CONECT   17   16   37   38   39                                       
CONECT   18   13   19   21   21                                       
CONECT   19   18   20                                                 
CONECT   20   19   40   41   42                                       
CONECT   21   18   18                                                 
CONECT   22   13   23   43   44                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   23   23   27   49                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
