COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.439  -0.548  -0.656  1.00  0.00           C  
HETATM    2  C   UNL     1       3.341  -0.410   1.759  1.00  0.00           C  
HETATM    3  C   UNL     1       2.073  -0.452  -0.717  1.00  0.00           C  
HETATM    4  C   UNL     1       1.975  -0.320   1.699  1.00  0.00           C  
HETATM    5  C   UNL     1       8.297   1.508  -0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       6.326   2.323  -1.157  1.00  0.00           C  
HETATM    7  C   UNL     1       7.793   0.060  -0.087  1.00  0.00           C  
HETATM    8  C   UNL     1       5.720   0.915  -1.245  1.00  0.00           C  
HETATM    9  C   UNL     1       5.558  -0.639   0.648  1.00  0.00           C  
HETATM   10  C   UNL     1       4.086  -0.530   0.582  1.00  0.00           C  
HETATM   11  C   UNL     1       1.326  -0.338   0.460  1.00  0.00           C  
HETATM   12  N   UNL     1       6.325   0.083  -0.193  1.00  0.00           N  
HETATM   13  O   UNL     1       6.077  -1.379   1.461  1.00  0.00           O  
HETATM   14  O   UNL     1       7.752   2.221  -1.168  1.00  0.00           O  
HETATM   15  H   UNL     1       4.015  -0.641  -1.565  1.00  0.00           H  
HETATM   16  H   UNL     1       3.842  -0.397   2.716  1.00  0.00           H  
HETATM   17  H   UNL     1       1.573  -0.466  -1.675  1.00  0.00           H  
HETATM   18  H   UNL     1       1.399  -0.228   2.609  1.00  0.00           H  
HETATM   19  H   UNL     1       7.980   1.984   0.872  1.00  0.00           H  
HETATM   20  H   UNL     1       9.385   1.515  -0.116  1.00  0.00           H  
HETATM   21  H   UNL     1       5.997   2.916  -2.010  1.00  0.00           H  
HETATM   22  H   UNL     1       6.002   2.802  -0.234  1.00  0.00           H  
HETATM   23  H   UNL     1       8.215  -0.457  -0.949  1.00  0.00           H  
HETATM   24  H   UNL     1       8.087  -0.451   0.829  1.00  0.00           H  
HETATM   25  H   UNL     1       4.641   0.970  -1.095  1.00  0.00           H  
HETATM   26  H   UNL     1       5.934   0.483  -2.223  1.00  0.00           H  
HETATM   27  C   UNL     1      -0.143  -0.235   0.395  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.997  -1.157  -0.177  1.00  0.00           C  
HETATM   29  S   UNL     1      -1.119   1.083   1.040  1.00  0.00           S  
HETATM   30  N   UNL     1      -2.287  -0.831  -0.106  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.583   0.285   0.479  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.525  -2.389  -0.809  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.516  -3.365  -1.390  1.00  0.00           C  
HETATM   34  O   UNL     1       0.664  -2.625  -0.865  1.00  0.00           O  
HETATM   35  N   UNL     1      -3.869   0.777   0.645  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.923   0.081   0.174  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.747  -0.976  -0.394  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.320   0.617   0.354  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.599   1.683  -0.709  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.288  -0.480   0.209  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.976   2.175  -0.556  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.664   0.012   0.362  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.943   1.078  -0.700  1.00  0.00           C  
HETATM   44  H   UNL     1      -2.527  -2.984  -1.246  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.322  -3.488  -2.456  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.414  -4.327  -0.889  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.010   1.623   1.099  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.416   1.058   1.346  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.901   2.510  -0.585  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.477   1.248  -1.701  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.169  -0.953  -0.674  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.094   2.648   0.328  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.362  -0.816   0.239  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.787   0.446   1.354  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.954   1.465  -0.570  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.847   0.637  -1.692  1.00  0.00           H  
CONECT    1    3   10   10   15                                       
CONECT    2    4    4   10   16                                       
CONECT    3   11   11    1   17                                       
CONECT    4   11    2    2   18                                       
CONECT    5   14    7   19   20                                       
CONECT    6    8   14   21   22                                       
CONECT    7   12    5   23   24                                       
CONECT    8    6   12   25   26                                       
CONECT    9   10   12   13   13                                       
CONECT   10    1    1    2    9                                       
CONECT   11    3    3    4   27                                       
CONECT   12    8    9    7                                            
CONECT   13    9    9                                                 
CONECT   14    6    5                                                 
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   11   28   28   29                                       
CONECT   28   27   27   30   32                                       
CONECT   29   27   31                                                 
CONECT   30   28   31   31                                            
CONECT   31   29   30   30   35                                       
CONECT   32   28   33   34   34                                       
CONECT   33   32   44   45   46                                       
CONECT   34   32   32                                                 
CONECT   35   31   36   47                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   40   48                                       
CONECT   39   38   41   49   50                                       
CONECT   40   38   42   51                                            
CONECT   41   39   43   52                                            
CONECT   42   40   43   53   54                                       
CONECT   43   42   41   55   56                                       
CONECT   44   33                                                      
CONECT   45   33                                                      
CONECT   46   33                                                      
CONECT   47   35                                                      
CONECT   48   38                                                      
CONECT   49   39                                                      
CONECT   50   39                                                      
CONECT   51   40                                                      
CONECT   52   41                                                      
CONECT   53   42                                                      
CONECT   54   42                                                      
CONECT   55   43                                                      
CONECT   56   43                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
