COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       6.150   1.274  -0.262  1.00  0.00           S  
HETATM    2  C   UNL     1       6.146   1.552  -2.055  1.00  0.00           C  
HETATM    3  N   UNL     1       5.139  -0.018  -0.042  1.00  0.00           N  
HETATM    4  O   UNL     1       7.420   0.802   0.166  1.00  0.00           O  
HETATM    5  C   UNL     1       5.693  -1.368   0.088  1.00  0.00           C  
HETATM    6  N   UNL     1       6.414  -3.065   1.700  1.00  0.00           N  
HETATM    7  O   UNL     1       5.502   2.345   0.410  1.00  0.00           O  
HETATM    8  C   UNL     1       5.858  -1.711   1.570  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.306   0.847   0.179  1.00  0.00           N  
HETATM   10  C   UNL     1       3.761   0.178   0.019  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.498   0.090  -0.044  1.00  0.00           N  
HETATM   12  C   UNL     1       2.928  -0.891   0.329  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.750  -0.908  -0.370  1.00  0.00           N  
HETATM   14  C   UNL     1       1.561  -0.686   0.388  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.154  -2.144  -0.885  1.00  0.00           N  
HETATM   16  C   UNL     1       1.071   0.593   0.132  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.736  -1.268  -0.715  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.205  -0.134  -0.203  1.00  0.00           C  
HETATM   19  N   UNL     1       3.261   1.381  -0.213  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.390  -0.830  -0.400  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.648   0.139   0.125  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.491  -0.412   1.293  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.054   0.647   2.119  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.017   1.559   1.330  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.201   2.544   0.538  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.932   2.065  -0.901  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.577   0.570  -0.978  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.113  -2.844  -1.237  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.927  -2.047  -0.948  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.550  -2.235  -1.095  1.00  0.00           C  
HETATM   31  C   UNL     1       1.962   1.611  -0.172  1.00  0.00           C  
HETATM   32  H   UNL     1       5.165   1.913  -2.364  1.00  0.00           H  
HETATM   33  H   UNL     1       6.903   2.294  -2.309  1.00  0.00           H  
HETATM   34  H   UNL     1       6.367   0.616  -2.568  1.00  0.00           H  
HETATM   35  H   UNL     1       5.017  -2.085  -0.378  1.00  0.00           H  
HETATM   36  H   UNL     1       6.664  -1.411  -0.405  1.00  0.00           H  
HETATM   37  H   UNL     1       6.532  -3.315   2.670  1.00  0.00           H  
HETATM   38  H   UNL     1       5.838  -3.740   1.220  1.00  0.00           H  
HETATM   39  H   UNL     1       6.534  -0.994   2.035  1.00  0.00           H  
HETATM   40  H   UNL     1       4.887  -1.668   2.063  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.630   1.711   0.479  1.00  0.00           H  
HETATM   42  H   UNL     1       3.343  -1.870   0.522  1.00  0.00           H  
HETATM   43  H   UNL     1       0.890  -1.498   0.626  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.063   0.993   0.466  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.305  -1.014   0.889  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.860  -1.045   1.916  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.595   0.197   2.950  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.240   1.255   2.516  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.620   0.954   0.653  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.667   2.091   2.024  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.735   3.494   0.500  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.247   2.698   1.042  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.822   2.248  -1.504  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.105   2.642  -1.315  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.104   0.369  -1.939  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.494  -0.014  -0.908  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.126  -3.835  -1.665  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.160  -3.153  -1.510  1.00  0.00           H  
HETATM   59  H   UNL     1       1.590   2.606  -0.367  1.00  0.00           H  
CONECT    1    2    7    7    3                                       
CONECT    1    4    4                                                 
CONECT    2    1   32   33   34                                       
CONECT    3    1    5   10                                            
CONECT    4    1    1                                                 
CONECT    5    3    8   35   36                                       
CONECT    6    8   37   38                                            
CONECT    7    1    1                                                 
CONECT    8    5    6   39   40                                       
CONECT    9   16   18   41                                            
CONECT   10    3   12   12   19                                       
CONECT   11   18   18   20                                            
CONECT   12   10   10   14   42                                       
CONECT   13   21   20   15                                            
CONECT   14   12   16   16   43                                       
CONECT   15   13   28   28                                            
CONECT   16    9   14   14   31                                       
CONECT   17   18   30   30                                            
CONECT   18    9   11   11   17                                       
CONECT   19   10   31   31                                            
CONECT   20   11   13   29   29                                       
CONECT   21   13   27   22   44                                       
CONECT   22   21   23   45   46                                       
CONECT   23   22   24   47   48                                       
CONECT   24   23   25   49   50                                       
CONECT   25   24   26   51   52                                       
CONECT   26   25   27   53   54                                       
CONECT   27   21   26   55   56                                       
CONECT   28   15   15   29   57                                       
CONECT   29   20   20   28   30                                       
CONECT   30   17   17   29   58                                       
CONECT   31   16   19   19   59                                       
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
