COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.603  -0.173  -0.998  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.160   1.056  -1.187  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.906   1.392  -0.946  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.000   0.454  -0.480  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.432  -0.860  -0.268  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.765  -1.166  -0.531  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.554  -1.836   0.200  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.438  -2.944  -0.758  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.407  -3.953  -0.246  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.822  -4.444   1.075  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.937  -3.336   2.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.968  -2.328   1.522  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.670   0.816  -0.226  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.362   2.097   0.056  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.247   2.921   0.189  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.954   2.501   0.202  1.00  0.00           C  
HETATM   17  N   UNL     1       0.058   1.638   0.066  1.00  0.00           N  
HETATM   18  C   UNL     1       1.244   2.136   0.223  1.00  0.00           C  
HETATM   19  S   UNL     1       1.116   3.855   0.577  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.588   3.770   0.478  1.00  0.00           C  
HETATM   21  N   UNL     1       2.431   1.424   0.126  1.00  0.00           N  
HETATM   22  C   UNL     1       2.537   0.112  -0.150  1.00  0.00           C  
HETATM   23  C   UNL     1       3.955  -0.294  -0.170  1.00  0.00           C  
HETATM   24  C   UNL     1       4.736   0.831   0.107  1.00  0.00           C  
HETATM   25  C   UNL     1       3.778   1.979   0.301  1.00  0.00           C  
HETATM   26  C   UNL     1       4.577  -1.521  -0.404  1.00  0.00           C  
HETATM   27  C   UNL     1       5.958  -1.611  -0.359  1.00  0.00           C  
HETATM   28  C   UNL     1       6.723  -0.486  -0.081  1.00  0.00           C  
HETATM   29  C   UNL     1       6.108   0.732   0.150  1.00  0.00           C  
HETATM   30  O   UNL     1       1.598  -0.633  -0.353  1.00  0.00           O  
HETATM   31  O   UNL     1       6.567  -2.805  -0.586  1.00  0.00           O  
HETATM   32  C   UNL     1       7.994  -2.828  -0.523  1.00  0.00           C  
HETATM   33  H   UNL     1      -7.636  -0.404  -1.209  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.584   2.409  -1.114  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.137  -2.168  -0.379  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.405  -3.435  -0.865  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.118  -2.556  -1.726  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.341  -4.790  -0.941  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.434  -3.469  -0.165  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.686  -4.961   1.014  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.257  -3.724   3.001  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.970  -2.846   2.140  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.034  -1.491   2.217  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.941  -2.812   1.441  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.971   0.144  -0.253  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.265   4.599   0.619  1.00  0.00           H  
HETATM   47  H   UNL     1       3.963   2.754  -0.442  1.00  0.00           H  
HETATM   48  H   UNL     1       3.886   2.388   1.306  1.00  0.00           H  
HETATM   49  H   UNL     1       3.984  -2.397  -0.619  1.00  0.00           H  
HETATM   50  H   UNL     1       7.800  -0.562  -0.046  1.00  0.00           H  
HETATM   51  H   UNL     1       6.706   1.606   0.365  1.00  0.00           H  
HETATM   52  H   UNL     1       8.320  -2.517   0.470  1.00  0.00           H  
HETATM   53  H   UNL     1       8.351  -3.838  -0.723  1.00  0.00           H  
HETATM   54  H   UNL     1       8.401  -2.145  -1.269  1.00  0.00           H  
CONECT    1    2    2    6   33                                       
CONECT    2    3    1    1                                            
CONECT    3    4    4    2   34                                       
CONECT    4   13    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   35                                       
CONECT    7    5    8   12                                            
CONECT    8    9    7   36   37                                       
CONECT    9    8   10   38   39                                       
CONECT   10    9   11   40                                            
CONECT   11   12   10   41   42                                       
CONECT   12    7   11   43   44                                       
CONECT   13   14    4   45                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   20   20   17   14                                       
CONECT   17   18   18   16                                            
CONECT   18   19   21   17   17                                       
CONECT   19   18   20                                                 
CONECT   20   19   16   16   46                                       
CONECT   21   22   18   25                                            
CONECT   22   30   30   23   21                                       
CONECT   23   26   22   24   24                                       
CONECT   24   23   23   29   25                                       
CONECT   25   21   24   47   48                                       
CONECT   26   27   27   23   49                                       
CONECT   27   31   26   26   28                                       
CONECT   28   27   29   29   50                                       
CONECT   29   28   28   24   51                                       
CONECT   30   22   22                                                 
CONECT   31   32   27                                                 
CONECT   32   31   52   53   54                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
