COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.963   1.023  -2.818  1.00  0.00           C  
HETATM    2  C   UNL     1       6.101  -0.146  -2.336  1.00  0.00           C  
HETATM    3  C   UNL     1       6.996  -1.351  -2.039  1.00  0.00           C  
HETATM    4  C   UNL     1       5.366   0.254  -1.083  1.00  0.00           C  
HETATM    5  C   UNL     1       4.126  -0.145  -0.755  1.00  0.00           C  
HETATM    6  C   UNL     1       3.807   0.475   0.530  1.00  0.00           C  
HETATM    7  C   UNL     1       2.689   0.450   1.383  1.00  0.00           C  
HETATM    8  C   UNL     1       2.754   1.192   2.563  1.00  0.00           C  
HETATM    9  C   UNL     1       3.900   1.913   2.845  1.00  0.00           C  
HETATM   10  N   UNL     1       4.933   1.919   2.029  1.00  0.00           N  
HETATM   11  C   UNL     1       4.934   1.236   0.892  1.00  0.00           C  
HETATM   12  N   UNL     1       5.865   1.074  -0.107  1.00  0.00           N  
HETATM   13  C   UNL     1       1.481  -0.337   1.040  1.00  0.00           C  
HETATM   14  C   UNL     1       0.925  -1.208   1.975  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.200  -1.939   1.649  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.775  -1.808   0.398  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.226  -0.945  -0.535  1.00  0.00           C  
HETATM   18  C   UNL     1       0.894  -0.205  -0.218  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.210  -2.744  -0.011  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.235  -2.842  -1.428  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.207  -3.878   0.847  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.526  -1.836   0.419  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.796  -0.569  -0.265  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.305  -0.375  -0.388  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.607   0.804  -1.316  1.00  0.00           C  
HETATM   26  S   UNL     1      -4.952   2.326  -0.571  1.00  0.00           S  
HETATM   27  O   UNL     1      -4.996   3.363  -1.541  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.582   2.524   0.688  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.217   1.867  -0.289  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.170   0.574   0.529  1.00  0.00           C  
HETATM   31  H   UNL     1       7.494   0.733  -3.725  1.00  0.00           H  
HETATM   32  H   UNL     1       6.325   1.881  -3.030  1.00  0.00           H  
HETATM   33  H   UNL     1       7.682   1.287  -2.044  1.00  0.00           H  
HETATM   34  H   UNL     1       5.381  -0.411  -3.111  1.00  0.00           H  
HETATM   35  H   UNL     1       7.716  -1.087  -1.265  1.00  0.00           H  
HETATM   36  H   UNL     1       6.383  -2.184  -1.696  1.00  0.00           H  
HETATM   37  H   UNL     1       7.528  -1.641  -2.946  1.00  0.00           H  
HETATM   38  H   UNL     1       3.487  -0.798  -1.330  1.00  0.00           H  
HETATM   39  H   UNL     1       6.744   1.484  -0.120  1.00  0.00           H  
HETATM   40  H   UNL     1       1.920   1.202   3.248  1.00  0.00           H  
HETATM   41  H   UNL     1       3.949   2.486   3.759  1.00  0.00           H  
HETATM   42  H   UNL     1       1.373  -1.312   2.952  1.00  0.00           H  
HETATM   43  H   UNL     1       1.318   0.472  -0.945  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.632  -2.614   2.373  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.679  -0.848  -1.510  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.119  -2.143   1.122  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.355  -0.597  -1.261  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.754  -1.281  -0.796  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.726  -0.177   0.598  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.723   0.714   1.459  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.134   0.329   0.760  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.132   0.638  -2.283  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.685   0.897  -1.448  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.721   1.710  -1.247  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.713   2.663   0.259  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    4   34                                       
CONECT    3    2   35   36   37                                       
CONECT    4    2    5    5   12                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11   11                                            
CONECT   11    6   10   10   12                                       
CONECT   12    4   11   39                                            
CONECT   13    7   14   18   18                                       
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   16   44                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   45                                       
CONECT   18   13   13   17   43                                       
CONECT   19   16   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   46                                            
CONECT   23   22   24   30   47                                       
CONECT   24   23   25   48   49                                       
CONECT   25   24   26   52   53                                       
CONECT   26   25   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   54   55                                       
CONECT   30   23   29   50   51                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39   12                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
