COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.572   2.668   0.209  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.966   1.401  -0.056  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.610   1.366  -0.117  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.890   2.523   0.081  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.488   2.487   0.018  1.00  0.00           C  
HETATM    6  N   UNL     1       0.237   3.596   0.207  1.00  0.00           N  
HETATM    7  C   UNL     1       1.549   3.579   0.153  1.00  0.00           C  
HETATM    8  C   UNL     1       2.257   2.414  -0.103  1.00  0.00           C  
HETATM    9  C   UNL     1       1.572   1.225  -0.309  1.00  0.00           C  
HETATM   10  N   UNL     1       2.252   0.044  -0.567  1.00  0.00           N  
HETATM   11  C   UNL     1       3.554  -0.125  -0.105  1.00  0.00           C  
HETATM   12  N   UNL     1       4.229   0.715   0.721  1.00  0.00           N  
HETATM   13  N   UNL     1       5.503   0.174   0.936  1.00  0.00           N  
HETATM   14  C   UNL     1       5.594  -0.947   0.268  1.00  0.00           C  
HETATM   15  C   UNL     1       6.799  -1.851   0.224  1.00  0.00           C  
HETATM   16  C   UNL     1       4.383  -1.167  -0.393  1.00  0.00           C  
HETATM   17  C   UNL     1       4.052  -2.346  -1.271  1.00  0.00           C  
HETATM   18  C   UNL     1       0.159   1.256  -0.248  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.602   0.095  -0.445  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.960   0.155  -0.374  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.911  -1.309  -0.615  1.00  0.00           S  
HETATM   22  O   UNL     1      -4.247  -0.842  -0.744  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.261  -1.975  -1.689  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.708  -2.240   0.928  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.244  -2.659   1.082  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.113  -1.359   2.112  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.594  -3.486   0.892  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.295   3.374  -0.574  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.655   2.555   0.231  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.226   3.041   1.173  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.401   3.453   0.282  1.00  0.00           H  
HETATM   32  H   UNL     1       2.093   4.499   0.311  1.00  0.00           H  
HETATM   33  H   UNL     1       3.336   2.432  -0.142  1.00  0.00           H  
HETATM   34  H   UNL     1       1.819  -0.664  -1.069  1.00  0.00           H  
HETATM   35  H   UNL     1       3.890   1.543   1.096  1.00  0.00           H  
HETATM   36  H   UNL     1       6.733  -2.584   1.028  1.00  0.00           H  
HETATM   37  H   UNL     1       6.831  -2.367  -0.736  1.00  0.00           H  
HETATM   38  H   UNL     1       7.704  -1.257   0.347  1.00  0.00           H  
HETATM   39  H   UNL     1       4.329  -2.121  -2.302  1.00  0.00           H  
HETATM   40  H   UNL     1       4.607  -3.220  -0.930  1.00  0.00           H  
HETATM   41  H   UNL     1       2.983  -2.550  -1.219  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.112  -0.846  -0.648  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.613  -1.771   1.108  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.122  -3.218   2.010  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.955  -3.286   0.239  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.177  -1.133   2.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.908  -1.887   3.044  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.542  -0.431   2.087  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.305  -4.113   0.049  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.472  -4.046   1.820  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.637  -3.188   0.783  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   20                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   18                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9   18   18    8   10                                       
CONECT   10    9   11   34                                            
CONECT   11   10   16   16   12                                       
CONECT   12   11   13   35                                            
CONECT   13   12   14   14                                            
CONECT   14   16   13   13   15                                       
CONECT   15   14   36   37   38                                       
CONECT   16   17   11   11   14                                       
CONECT   17   16   39   40   41                                       
CONECT   18    5   19    9    9                                       
CONECT   19   20   20   18   42                                       
CONECT   20    3   21   19   19                                       
CONECT   21   23   23   20   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   27   21   26   25                                       
CONECT   25   24   43   44   45                                       
CONECT   26   24   46   47   48                                       
CONECT   27   24   49   50   51                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
