COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.649   0.770  -0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       1.688   0.817  -1.779  1.00  0.00           C  
HETATM    3  C   UNL     1       0.612   1.077   0.898  1.00  0.00           C  
HETATM    4  C   UNL     1       3.894   0.089  -0.855  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.067  -1.754  -0.124  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.949  -1.622   0.756  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.912  -0.854   0.326  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.145   0.612   0.143  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.856   1.381   0.160  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.878   2.685   0.417  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.768   3.393   0.440  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.591   2.846   0.211  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.488   1.548  -0.053  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.549  -0.699  -0.375  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.764  -1.434   0.100  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.669  -2.776   0.301  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.430  -3.589  -0.850  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.249   0.973  -0.287  1.00  0.00           N  
HETATM   19  C   UNL     1       0.394   1.571  -1.465  1.00  0.00           C  
HETATM   20  C   UNL     1       2.624   0.892  -0.570  1.00  0.00           C  
HETATM   21  C   UNL     1       1.912   0.308   0.654  1.00  0.00           C  
HETATM   22  N   UNL     1       4.839   0.259   0.252  1.00  0.00           N  
HETATM   23  S   UNL     1       6.129  -0.767   0.404  1.00  0.00           S  
HETATM   24  O   UNL     1       6.862  -0.324   1.538  1.00  0.00           O  
HETATM   25  O   UNL     1       5.610  -2.085   0.281  1.00  0.00           O  
HETATM   26  N   UNL     1       7.107  -0.525  -0.910  1.00  0.00           N  
HETATM   27  H   UNL     1       1.457  -0.227  -1.996  1.00  0.00           H  
HETATM   28  H   UNL     1       2.172   1.270  -2.644  1.00  0.00           H  
HETATM   29  H   UNL     1       0.841   2.125   1.090  1.00  0.00           H  
HETATM   30  H   UNL     1       0.096   0.654   1.760  1.00  0.00           H  
HETATM   31  H   UNL     1       3.641  -0.966  -0.957  1.00  0.00           H  
HETATM   32  H   UNL     1       4.349   0.445  -1.779  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.552  -0.786  -0.243  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.724  -2.111  -1.095  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.777  -2.467   0.296  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.646   0.776  -0.811  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.786   0.973   0.947  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.824   4.450   0.651  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.443  -0.843  -1.450  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.670  -1.103   0.127  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.189  -3.384  -1.604  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.444  -3.363  -1.257  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.473  -4.641  -0.567  1.00  0.00           H  
HETATM   44  H   UNL     1       0.623   2.617  -1.261  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.281   1.507  -2.318  1.00  0.00           H  
HETATM   46  H   UNL     1       2.886   1.933  -0.377  1.00  0.00           H  
HETATM   47  H   UNL     1       2.558   0.398   1.528  1.00  0.00           H  
HETATM   48  H   UNL     1       1.685  -0.743   0.475  1.00  0.00           H  
HETATM   49  H   UNL     1       4.708   0.974   0.895  1.00  0.00           H  
HETATM   50  H   UNL     1       6.862   0.130  -1.582  1.00  0.00           H  
HETATM   51  H   UNL     1       7.925  -1.037  -1.007  1.00  0.00           H  
CONECT    1    9    9   13   14                                       
CONECT    2   19   20   27   28                                       
CONECT    3   18   21   29   30                                       
CONECT    4   20   22   31   32                                       
CONECT    5    6   33   34   35                                       
CONECT    6    5    7                                                 
CONECT    7    8    6   15   15                                       
CONECT    8    9    7   36   37                                       
CONECT    9   10    8    1    1                                       
CONECT   10   11   11    9                                            
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12    1   18                                       
CONECT   14    1   15   39   40                                       
CONECT   15    7    7   14   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   41   42   43                                       
CONECT   18   13    3   19                                            
CONECT   19   18    2   44   45                                       
CONECT   20   21    2    4   46                                       
CONECT   21    3   20   47   48                                       
CONECT   22    4   23   49                                            
CONECT   23   22   25   25   24                                       
CONECT   23   24   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   50   51                                            
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
