COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.889  -0.018   0.644  1.00  0.00           C  
HETATM    2  C   UNL     1       6.352   1.716  -0.057  1.00  0.00           C  
HETATM    3  C   UNL     1       6.052   0.560  -0.756  1.00  0.00           C  
HETATM    4  C   UNL     1       4.827  -0.051  -0.590  1.00  0.00           C  
HETATM    5  C   UNL     1       3.888   0.499   0.285  1.00  0.00           C  
HETATM    6  C   UNL     1       4.198   1.666   0.988  1.00  0.00           C  
HETATM    7  C   UNL     1       5.427   2.267   0.812  1.00  0.00           C  
HETATM    8  C   UNL     1       2.576  -0.149   0.468  1.00  0.00           C  
HETATM    9  C   UNL     1       1.478   0.345   1.383  1.00  0.00           C  
HETATM   10  C   UNL     1       0.346  -0.683   1.194  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.945   0.335  -0.691  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082   0.942  -1.203  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.166   1.196  -0.371  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.106   0.839   0.971  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.965   0.232   1.475  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.985   0.999  -3.312  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.300   0.934  -1.389  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.032   0.692   3.157  1.00  0.00           C  
HETATM   19  C   UNL     1       0.270  -2.721  -0.267  1.00  0.00           C  
HETATM   20  N   UNL     1       0.902  -1.633   0.217  1.00  0.00           N  
HETATM   21  N   UNL     1       2.186  -1.220  -0.132  1.00  0.00           N  
HETATM   22  N   UNL     1       0.887  -3.517  -1.162  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.136   1.290  -2.516  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.283   1.792  -0.869  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.164   1.085   1.789  1.00  0.00           O  
HETATM   26  S   UNL     1      -1.318  -3.091   0.257  1.00  0.00           S  
HETATM   27  H   UNL     1       7.315   2.188  -0.188  1.00  0.00           H  
HETATM   28  H   UNL     1       6.779   0.136  -1.434  1.00  0.00           H  
HETATM   29  H   UNL     1       4.594  -0.953  -1.137  1.00  0.00           H  
HETATM   30  H   UNL     1       3.477   2.097   1.666  1.00  0.00           H  
HETATM   31  H   UNL     1       5.670   3.167   1.357  1.00  0.00           H  
HETATM   32  H   UNL     1       1.819   0.354   2.418  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.102   0.137  -1.337  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.919  -0.049   2.516  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.160   1.327  -4.337  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.120   1.524  -2.906  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.797  -0.074  -3.301  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.892   0.343  -2.210  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.650   0.267  -0.601  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.133   1.535  -1.753  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.864  -0.384   3.211  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.187   1.214   3.605  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.944   0.945   3.697  1.00  0.00           H  
HETATM   44  H   UNL     1       1.786  -3.307  -1.459  1.00  0.00           H  
HETATM   45  H   UNL     1       0.432  -4.299  -1.510  1.00  0.00           H  
HETATM   46  H   UNL     1       1.148   1.340   1.081  1.00  0.00           H  
HETATM   47  H   UNL     1       0.126  -1.187   2.136  1.00  0.00           H  
CONECT    1   11   11   15   10                                       
CONECT    2    3    3    7   27                                       
CONECT    3    4    2    2   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5    8    4    4    6                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    2   31                                       
CONECT    8    9   21   21    5                                       
CONECT    9   10    8   32   46                                       
CONECT   10    1   20    9   47                                       
CONECT   11   12    1    1   33                                       
CONECT   12   23   13   13   11                                       
CONECT   13   24   12   12   14                                       
CONECT   14   13   25   15   15                                       
CONECT   15   14   14    1   34                                       
CONECT   16   23   35   36   37                                       
CONECT   17   24   38   39   40                                       
CONECT   18   25   41   42   43                                       
CONECT   19   26   26   20   22                                       
CONECT   20   10   19   21                                            
CONECT   21   20    8    8                                            
CONECT   22   19   44   45                                            
CONECT   23   16   12                                                 
CONECT   24   17   13                                                 
CONECT   25   14   18                                                 
CONECT   26   19   19                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
