COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.766   0.984   0.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.261   0.920  -1.282  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.020  -0.178  -2.032  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.522   0.111  -1.954  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.940   0.205  -0.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.427   0.553  -0.398  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.484   2.178  -1.922  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.607  -0.195  -3.400  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.806   1.347  -2.612  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.850   0.531   0.991  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.157   0.717   1.234  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.908   0.982   0.325  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.687   0.594   2.639  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.174   1.224   0.162  1.00  0.00           O  
HETATM   15  S   UNL     1      -0.420  -0.591   0.994  1.00  0.00           S  
HETATM   16  O   UNL     1      -0.597  -0.463   2.398  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.002  -1.671   0.277  1.00  0.00           O  
HETATM   18  N   UNL     1       1.211  -0.808   0.806  1.00  0.00           N  
HETATM   19  C   UNL     1       2.260  -0.203   1.646  1.00  0.00           C  
HETATM   20  C   UNL     1       3.523  -0.181   0.749  1.00  0.00           C  
HETATM   21  O   UNL     1       3.497   0.936  -0.143  1.00  0.00           O  
HETATM   22  S   UNL     1       4.260   2.151   0.363  1.00  0.00           S  
HETATM   23  O   UNL     1       4.020   3.194  -0.571  1.00  0.00           O  
HETATM   24  O   UNL     1       3.962   2.264   1.748  1.00  0.00           O  
HETATM   25  N   UNL     1       5.874   1.794   0.261  1.00  0.00           N  
HETATM   26  C   UNL     1       3.378  -1.516  -0.027  1.00  0.00           C  
HETATM   27  C   UNL     1       1.852  -1.641  -0.222  1.00  0.00           C  
HETATM   28  C   UNL     1       1.426  -3.077  -0.057  1.00  0.00           C  
HETATM   29  O   UNL     1       0.664  -3.383   0.829  1.00  0.00           O  
HETATM   30  O   UNL     1       1.895  -4.016  -0.894  1.00  0.00           O  
HETATM   31  C   UNL     1       1.443  -5.379  -0.675  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.259   1.792   0.689  1.00  0.00           H  
HETATM   33  H   UNL     1       0.806   0.694  -1.285  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.810  -1.145  -1.574  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.074  -0.696  -2.438  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.761  -0.751   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.593   1.547  -0.813  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.005  -0.178  -0.965  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.188   2.210  -2.842  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.049  -0.868  -3.936  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.562   1.360  -3.547  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.261   1.383   3.258  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.773   0.689   2.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.412  -0.378   3.048  1.00  0.00           H  
HETATM   45  H   UNL     1       1.980   0.810   1.933  1.00  0.00           H  
HETATM   46  H   UNL     1       4.431  -0.175   1.352  1.00  0.00           H  
HETATM   47  H   UNL     1       6.519   2.502   0.108  1.00  0.00           H  
HETATM   48  H   UNL     1       6.175   0.876   0.353  1.00  0.00           H  
HETATM   49  H   UNL     1       3.888  -1.461  -0.989  1.00  0.00           H  
HETATM   50  H   UNL     1       3.756  -2.349   0.565  1.00  0.00           H  
HETATM   51  H   UNL     1       1.576  -1.282  -1.214  1.00  0.00           H  
HETATM   52  H   UNL     1       1.737  -5.703   0.323  1.00  0.00           H  
HETATM   53  H   UNL     1       0.357  -5.420  -0.766  1.00  0.00           H  
HETATM   54  H   UNL     1       1.895  -6.035  -1.418  1.00  0.00           H  
HETATM   55  H   UNL     1       2.436  -0.814   2.532  1.00  0.00           H  
CONECT    1    2   14   15   32                                       
CONECT    2    1    3    7   33                                       
CONECT    3    2    4    8   34                                       
CONECT    4    3    5    9   35                                       
CONECT    5    4    6   14   36                                       
CONECT    6    5   10   37   38                                       
CONECT    7    2   39                                                 
CONECT    8    3   40                                                 
CONECT    9    4   41                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   42   43   44                                       
CONECT   14    1    5                                                 
CONECT   15    1   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   27                                            
CONECT   19   18   20   45   55                                       
CONECT   20   19   21   26   46                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   47   48                                            
CONECT   26   20   27   49   50                                       
CONECT   27   18   26   28   51                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   52   53   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   19                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
