COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.584  -0.921   0.778  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.804   0.012   0.043  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.959  -0.361  -1.425  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.994   1.417   0.122  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.353  -0.248   0.423  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.416   0.751  -0.090  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.039   0.438   0.314  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.238   1.735   0.451  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.813   1.411   0.904  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.384  -0.452  -0.747  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.972  -0.649  -0.394  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.455  -1.890  -0.295  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.178  -2.858  -0.402  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.133   0.533  -0.151  1.00  0.00           C  
HETATM   15  C   UNL     1       1.220   0.098   0.349  1.00  0.00           C  
HETATM   16  O   UNL     1       1.304  -0.755   1.207  1.00  0.00           O  
HETATM   17  N   UNL     1       2.338   0.656  -0.157  1.00  0.00           N  
HETATM   18  N   UNL     1       3.595   0.252   0.308  1.00  0.00           N  
HETATM   19  C   UNL     1       4.713   0.810  -0.198  1.00  0.00           C  
HETATM   20  O   UNL     1       4.629   1.663  -1.056  1.00  0.00           O  
HETATM   21  C   UNL     1       6.066   0.375   0.303  1.00  0.00           C  
HETATM   22  C   UNL     1       7.159   1.155  -0.433  1.00  0.00           C  
HETATM   23  C   UNL     1       8.531   0.665   0.038  1.00  0.00           C  
HETATM   24  C   UNL     1       8.644  -0.840  -0.216  1.00  0.00           C  
HETATM   25  N   UNL     1       7.577  -1.542   0.510  1.00  0.00           N  
HETATM   26  C   UNL     1       6.251  -1.121   0.041  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.488   0.834  -1.093  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.050  -0.086   1.270  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.207   2.245  -0.512  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.716   2.380   1.188  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.250   2.337   1.023  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.845   0.879   1.854  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.891  -1.417  -0.779  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.456   0.030  -1.722  1.00  0.00           H  
HETATM   35  H   UNL     1       0.603  -2.022  -0.121  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.019   1.096  -1.077  1.00  0.00           H  
HETATM   37  H   UNL     1       2.271   1.338  -0.843  1.00  0.00           H  
HETATM   38  H   UNL     1       3.662  -0.431   0.995  1.00  0.00           H  
HETATM   39  H   UNL     1       6.138   0.569   1.373  1.00  0.00           H  
HETATM   40  H   UNL     1       7.062   0.992  -1.507  1.00  0.00           H  
HETATM   41  H   UNL     1       7.056   2.219  -0.216  1.00  0.00           H  
HETATM   42  H   UNL     1       9.312   1.187  -0.514  1.00  0.00           H  
HETATM   43  H   UNL     1       8.642   0.864   1.104  1.00  0.00           H  
HETATM   44  H   UNL     1       8.546  -1.036  -1.284  1.00  0.00           H  
HETATM   45  H   UNL     1       9.614  -1.195   0.131  1.00  0.00           H  
HETATM   46  H   UNL     1       7.687  -2.542   0.436  1.00  0.00           H  
HETATM   47  H   UNL     1       5.483  -1.681   0.576  1.00  0.00           H  
HETATM   48  H   UNL     1       6.164  -1.317  -1.027  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.853  -0.232  -1.771  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    4                                       
CONECT    2    5    3                                                 
CONECT    3    2   49                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   27                                            
CONECT    7    6    8   10   28                                       
CONECT    8    9    7   29   30                                       
CONECT    9    8   14   31   32                                       
CONECT   10    7   11   33   34                                       
CONECT   11   12   14   10                                            
CONECT   12   13   13   11   35                                       
CONECT   13   12   12                                                 
CONECT   14    9   11   15   36                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   37                                            
CONECT   18   17   19   38                                            
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   26   39                                       
CONECT   22   23   21   40   41                                       
CONECT   23   24   22   42   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24   26   46                                            
CONECT   26   25   21   47   48                                       
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49    3                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
