COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.755   0.698  -0.090  1.00  0.00           C  
HETATM    2  N   UNL     1       0.277  -0.881   0.127  1.00  0.00           N  
HETATM    3  O   UNL     1       6.768  -1.376  -0.526  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.665   0.663   0.337  1.00  0.00           S  
HETATM    5  C   UNL     1      -6.806  -0.579   0.455  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.616  -3.066  -0.123  1.00  0.00           N  
HETATM    7  O   UNL     1       7.356   0.477   1.045  1.00  0.00           O  
HETATM    8  S   UNL     1       6.718  -0.013  -0.126  1.00  0.00           S  
HETATM    9  C   UNL     1      -5.667  -1.352   0.511  1.00  0.00           C  
HETATM   10  N   UNL     1       0.978   1.370   0.389  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.321  -2.894   0.073  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.413   0.433  -0.529  1.00  0.00           C  
HETATM   13  N   UNL     1       7.324   0.868  -1.391  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.556   1.201  -0.581  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.880   1.455  -0.148  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.756   2.759  -0.720  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.460  -0.851   0.018  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.236  -1.677   0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.972  -1.060   0.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.748  -1.696   0.043  1.00  0.00           C  
HETATM   21  C   UNL     1       0.021   0.386   0.283  1.00  0.00           C  
HETATM   22  C   UNL     1       2.332   1.044   0.267  1.00  0.00           C  
HETATM   23  C   UNL     1       2.724  -0.009  -0.549  1.00  0.00           C  
HETATM   24  C   UNL     1       4.062  -0.329  -0.668  1.00  0.00           C  
HETATM   25  C   UNL     1       5.012   0.398   0.026  1.00  0.00           C  
HETATM   26  C   UNL     1       4.626   1.448   0.840  1.00  0.00           C  
HETATM   27  C   UNL     1       3.289   1.776   0.958  1.00  0.00           C  
HETATM   28  H   UNL     1      -7.740  -0.966   0.836  1.00  0.00           H  
HETATM   29  H   UNL     1       0.266  -3.465  -0.183  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.406  -3.626  -0.180  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.708  -2.345   0.934  1.00  0.00           H  
HETATM   32  H   UNL     1       0.714   2.290   0.548  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.481   0.824  -0.912  1.00  0.00           H  
HETATM   34  H   UNL     1       7.708   0.414  -2.158  1.00  0.00           H  
HETATM   35  H   UNL     1       7.294   1.837  -1.366  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.520   2.194  -1.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.408   2.672  -1.750  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.726   3.256  -0.706  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.040   3.343  -0.143  1.00  0.00           H  
HETATM   40  H   UNL     1       1.982  -0.578  -1.091  1.00  0.00           H  
HETATM   41  H   UNL     1       4.367  -1.148  -1.302  1.00  0.00           H  
HETATM   42  H   UNL     1       5.370   2.013   1.381  1.00  0.00           H  
HETATM   43  H   UNL     1       2.989   2.598   1.591  1.00  0.00           H  
CONECT    1    5    5   14   15                                       
CONECT    2   20   21   21                                            
CONECT    3    8    8                                                 
CONECT    4   19   21                                                 
CONECT    5    1    1    9   28                                       
CONECT    6   20   29   30                                            
CONECT    7    8    8                                                 
CONECT    8    3    3    7    7                                       
CONECT    8   13   25                                                 
CONECT    9    5   17   17   31                                       
CONECT   10   21   22   32                                            
CONECT   11   18   18                                                 
CONECT   12   14   14   17   33                                       
CONECT   13    8   34   35                                            
CONECT   14    1   12   12   36                                       
CONECT   15    1   16                                                 
CONECT   16   15   37   38   39                                       
CONECT   17    9    9   12   18                                       
CONECT   18   11   11   17   19                                       
CONECT   19    4   18   20   20                                       
CONECT   20    2    6   19   19                                       
CONECT   21    2    2    4   10                                       
CONECT   22   10   23   23   27                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   41                                       
CONECT   25    8   24   24   26                                       
CONECT   26   25   27   27   42                                       
CONECT   27   22   26   26   43                                       
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
