COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.748  -0.910  -0.170  1.00  0.00           C  
HETATM    2  C   UNL     1       0.467  -1.492   0.188  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.587  -0.640   0.005  1.00  0.00           C  
HETATM    4  S   UNL     1      -0.050   0.859  -0.598  1.00  0.00           S  
HETATM    5  C   UNL     1       1.628   0.347  -0.611  1.00  0.00           C  
HETATM    6  C   UNL     1       2.796   1.205  -1.065  1.00  0.00           C  
HETATM    7  N   UNL     1       4.036   0.512  -0.681  1.00  0.00           N  
HETATM    8  C   UNL     1       4.118  -0.937  -0.923  1.00  0.00           C  
HETATM    9  C   UNL     1       3.076  -1.642  -0.052  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.910  -0.953   0.273  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.877  -0.039   0.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.315  -0.380   0.348  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.188   0.804   0.023  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.757   1.039  -1.160  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.518   2.194  -1.223  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.568   2.897  -0.090  1.00  0.00           C  
HETATM   17  S   UNL     1      -5.619   2.085   1.149  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.588   1.058  -0.372  1.00  0.00           O  
HETATM   19  C   UNL     1       0.318  -2.857   0.696  1.00  0.00           C  
HETATM   20  O   UNL     1       0.122  -3.879  -0.163  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.018  -5.205   0.411  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.232  -6.226  -0.709  1.00  0.00           C  
HETATM   23  O   UNL     1       0.371  -3.071   1.893  1.00  0.00           O  
HETATM   24  C   UNL     1       5.064   1.183  -0.125  1.00  0.00           C  
HETATM   25  O   UNL     1       4.966   2.509   0.086  1.00  0.00           O  
HETATM   26  C   UNL     1       6.112   3.167   0.688  1.00  0.00           C  
HETATM   27  C   UNL     1       5.817   4.660   0.849  1.00  0.00           C  
HETATM   28  O   UNL     1       6.079   0.592   0.185  1.00  0.00           O  
HETATM   29  H   UNL     1       2.763   1.331  -2.148  1.00  0.00           H  
HETATM   30  H   UNL     1       2.751   2.179  -0.578  1.00  0.00           H  
HETATM   31  H   UNL     1       3.915  -1.143  -1.974  1.00  0.00           H  
HETATM   32  H   UNL     1       5.114  -1.294  -0.663  1.00  0.00           H  
HETATM   33  H   UNL     1       3.404  -1.634   0.988  1.00  0.00           H  
HETATM   34  H   UNL     1       2.955  -2.671  -0.389  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.141  -1.831   0.615  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.617  -1.232  -0.262  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.423  -0.633   1.403  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.633   0.379  -2.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.033   2.503  -2.121  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.110   3.820   0.047  1.00  0.00           H  
HETATM   41  H   UNL     1       0.886  -5.458   0.965  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.874  -5.221   1.086  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.136  -5.972  -1.263  1.00  0.00           H  
HETATM   44  H   UNL     1       0.624  -6.209  -1.383  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.336  -7.221  -0.278  1.00  0.00           H  
HETATM   46  H   UNL     1       6.310   2.728   1.666  1.00  0.00           H  
HETATM   47  H   UNL     1       6.984   3.036   0.048  1.00  0.00           H  
HETATM   48  H   UNL     1       5.619   5.098  -0.128  1.00  0.00           H  
HETATM   49  H   UNL     1       4.945   4.790   1.490  1.00  0.00           H  
HETATM   50  H   UNL     1       6.677   5.153   1.301  1.00  0.00           H  
CONECT    1    5    5    9    2                                       
CONECT    2    1    3    3   19                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5                                                 
CONECT    5    1    1    4    6                                       
CONECT    6    5    7   29   30                                       
CONECT    7    6   24    8                                            
CONECT    8    7    9   31   32                                       
CONECT    9    1    8   33   34                                       
CONECT   10    3   11   35                                            
CONECT   11   10   18   18   12                                       
CONECT   12   11   13   36   37                                       
CONECT   13   12   17   14   14                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   13   16                                                 
CONECT   18   11   11                                                 
CONECT   19    2   20   23   23                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   41   42                                       
CONECT   22   21   43   44   45                                       
CONECT   23   19   19                                                 
CONECT   24    7   28   28   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   46   47                                       
CONECT   27   26   48   49   50                                       
CONECT   28   24   24                                                 
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
