COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.441   3.845   0.208  1.00  0.00           N  
HETATM    2  C   UNL     1       5.855   2.516   0.428  1.00  0.00           C  
HETATM    3  C   UNL     1       4.331   2.636   0.502  1.00  0.00           C  
HETATM    4  C   UNL     1       3.720   1.252   0.731  1.00  0.00           C  
HETATM    5  C   UNL     1       4.104   0.328  -0.426  1.00  0.00           C  
HETATM    6  C   UNL     1       5.627   0.207  -0.499  1.00  0.00           C  
HETATM    7  C   UNL     1       6.238   1.591  -0.729  1.00  0.00           C  
HETATM    8  S   UNL     1       3.380  -1.313  -0.154  1.00  0.00           S  
HETATM    9  O   UNL     1       3.557  -2.133  -1.301  1.00  0.00           O  
HETATM   10  O   UNL     1       3.702  -1.791   1.145  1.00  0.00           O  
HETATM   11  N   UNL     1       1.748  -1.040  -0.095  1.00  0.00           N  
HETATM   12  C   UNL     1       0.913  -0.722   1.089  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.053   0.377   0.589  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.145   0.155  -0.936  1.00  0.00           C  
HETATM   15  C   UNL     1       0.775  -1.050  -1.215  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.070  -2.326  -1.074  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.871  -2.249   0.229  1.00  0.00           C  
HETATM   18  C   UNL     1       0.079  -1.972   1.408  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.851  -1.165   0.136  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.166  -1.433   0.253  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.539  -2.575   0.436  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.159  -0.335   0.158  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.910   0.936  -0.036  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.929   1.587  -0.066  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.015   0.820   0.107  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.574  -0.450   0.254  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.449   1.283   0.129  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.986   1.977  -1.124  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.704   2.792   0.141  1.00  0.00           C  
HETATM   30  H   UNL     1       7.447   3.792   0.156  1.00  0.00           H  
HETATM   31  H   UNL     1       6.058   4.276  -0.620  1.00  0.00           H  
HETATM   32  H   UNL     1       6.232   2.103   1.364  1.00  0.00           H  
HETATM   33  H   UNL     1       4.058   3.295   1.326  1.00  0.00           H  
HETATM   34  H   UNL     1       3.954   3.049  -0.434  1.00  0.00           H  
HETATM   35  H   UNL     1       4.098   0.839   1.667  1.00  0.00           H  
HETATM   36  H   UNL     1       2.635   1.338   0.784  1.00  0.00           H  
HETATM   37  H   UNL     1       3.726   0.741  -1.361  1.00  0.00           H  
HETATM   38  H   UNL     1       6.005  -0.206   0.436  1.00  0.00           H  
HETATM   39  H   UNL     1       5.900  -0.452  -1.324  1.00  0.00           H  
HETATM   40  H   UNL     1       5.860   2.004  -1.664  1.00  0.00           H  
HETATM   41  H   UNL     1       7.323   1.505  -0.781  1.00  0.00           H  
HETATM   42  H   UNL     1       1.511  -0.389   1.937  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.034   0.258   1.049  1.00  0.00           H  
HETATM   44  H   UNL     1       0.351   1.365   0.805  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.171  -0.072  -1.225  1.00  0.00           H  
HETATM   46  H   UNL     1       0.213   1.036  -1.470  1.00  0.00           H  
HETATM   47  H   UNL     1       1.264  -0.977  -2.186  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.754  -2.406  -1.919  1.00  0.00           H  
HETATM   49  H   UNL     1       0.585  -3.197  -1.051  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.389  -3.194   0.392  1.00  0.00           H  
HETATM   51  H   UNL     1       0.743  -2.825   1.551  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.504  -1.806   2.315  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.553  -0.253  -0.010  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.159  -1.344   0.410  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.138   0.652   0.690  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.302   2.099  -1.964  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.029   1.803  -1.388  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.561   3.153   0.709  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.834   3.450   0.133  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    7    3   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5   35   36                                       
CONECT    5    6    4    8   37                                       
CONECT    6    7    5   38   39                                       
CONECT    7    2    6   40   41                                       
CONECT    8    5   10   10   11                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12    8   15                                            
CONECT   12   18   11   13   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   11   16   14   47                                       
CONECT   16   17   15   48   49                                       
CONECT   17   18   19   16   50                                       
CONECT   18   17   12   51   52                                       
CONECT   19   17   20   53                                            
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   26   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   25   23                                                 
CONECT   25   26   26   27   24                                       
CONECT   26   22   25   25   54                                       
CONECT   27   28   25   29   55                                       
CONECT   28   29   27   56   57                                       
CONECT   29   28   27   58   59                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
