COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.097  -1.701   3.343  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.127   0.064   2.995  1.00  0.00           C  
HETATM    3  C   UNL     1       0.639   0.890   4.029  1.00  0.00           C  
HETATM    4  C   UNL     1       0.116   0.579   5.408  1.00  0.00           C  
HETATM    5  C   UNL     1       0.680  -0.443   6.147  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.924   1.321   5.936  1.00  0.00           C  
HETATM    7  C   UNL     1       0.200  -0.728   7.411  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.406   1.033   7.199  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.842   0.009   7.937  1.00  0.00           C  
HETATM   10  C   UNL     1       0.395   0.375   1.616  1.00  0.00           C  
HETATM   11  O   UNL     1       1.553   0.702   1.466  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.424   0.291   0.549  1.00  0.00           N  
HETATM   13  C   UNL     1       0.083   0.594  -0.790  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.024   0.425  -1.797  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.101  -0.010  -1.448  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.819   0.759  -3.087  1.00  0.00           N  
HETATM   17  C   UNL     1       0.409   1.358  -3.633  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.583  -4.186  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.922   0.512  -5.470  1.00  0.00           C  
HETATM   20  C   UNL     1       0.195   1.540  -5.151  1.00  0.00           C  
HETATM   21  C   UNL     1       1.583   0.446  -3.386  1.00  0.00           C  
HETATM   22  C   UNL     1       2.850   0.976  -3.233  1.00  0.00           C  
HETATM   23  C   UNL     1       1.391  -0.920  -3.308  1.00  0.00           C  
HETATM   24  C   UNL     1       3.927   0.139  -3.007  1.00  0.00           C  
HETATM   25  C   UNL     1       2.469  -1.757  -3.086  1.00  0.00           C  
HETATM   26  C   UNL     1       3.736  -1.227  -2.934  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.561  -0.695  -4.004  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.063  -1.624  -3.412  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.804  -0.803  -4.498  1.00  0.00           O  
HETATM   30  H   UNL     1       1.435  -1.791   3.232  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.188   0.312   3.045  1.00  0.00           H  
HETATM   32  H   UNL     1       1.699   0.643   3.978  1.00  0.00           H  
HETATM   33  H   UNL     1       0.503   1.951   3.820  1.00  0.00           H  
HETATM   34  H   UNL     1       1.496  -1.019   5.736  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.364   2.120   5.359  1.00  0.00           H  
HETATM   36  H   UNL     1       0.641  -1.528   7.988  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.222   1.609   7.610  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.218  -0.213   8.925  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.351   0.030   0.669  1.00  0.00           H  
HETATM   40  H   UNL     1       0.900  -0.086  -1.031  1.00  0.00           H  
HETATM   41  H   UNL     1       0.446   1.621  -0.818  1.00  0.00           H  
HETATM   42  H   UNL     1       0.587   2.326  -3.165  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.465   1.434  -4.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.507  -0.486  -5.607  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.496   0.818  -6.345  1.00  0.00           H  
HETATM   46  H   UNL     1       1.106   1.302  -5.700  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.137   2.553  -5.374  1.00  0.00           H  
HETATM   48  H   UNL     1       2.999   2.044  -3.290  1.00  0.00           H  
HETATM   49  H   UNL     1       0.401  -1.335  -3.427  1.00  0.00           H  
HETATM   50  H   UNL     1       4.917   0.554  -2.888  1.00  0.00           H  
HETATM   51  H   UNL     1       2.320  -2.826  -3.029  1.00  0.00           H  
HETATM   52  H   UNL     1       4.578  -1.881  -2.758  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.301  -1.624  -4.381  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    1    3   10   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   34                                       
CONECT    6    4    8    8   35                                       
CONECT    7    5    9    9   36                                       
CONECT    8    6    6    9   37                                       
CONECT    9    7    7    8   38                                       
CONECT   10    2   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   39                                            
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   20   21   42                                       
CONECT   18   16   19   27   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   17   19   46   47                                       
CONECT   21   17   22   23   23                                       
CONECT   22   21   24   24   48                                       
CONECT   23   21   21   25   49                                       
CONECT   24   22   22   26   50                                       
CONECT   25   23   26   26   51                                       
CONECT   26   24   25   25   52                                       
CONECT   27   18   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   53                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
