COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.869   4.308   1.461  1.00  0.00           C  
HETATM    2  O   UNL     1       5.497   4.292   1.062  1.00  0.00           O  
HETATM    3  C   UNL     1       5.037   3.151   0.483  1.00  0.00           C  
HETATM    4  C   UNL     1       3.715   3.066   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1       3.250   1.906  -0.518  1.00  0.00           C  
HETATM    6  C   UNL     1       5.890   2.073   0.298  1.00  0.00           C  
HETATM    7  C   UNL     1       5.420   0.915  -0.292  1.00  0.00           C  
HETATM    8  C   UNL     1       4.101   0.831  -0.697  1.00  0.00           C  
HETATM    9  S   UNL     1       3.504  -0.648  -1.447  1.00  0.00           S  
HETATM   10  O   UNL     1       2.374  -0.276  -2.223  1.00  0.00           O  
HETATM   11  O   UNL     1       4.639  -1.307  -1.992  1.00  0.00           O  
HETATM   12  N   UNL     1       2.938  -1.620  -0.232  1.00  0.00           N  
HETATM   13  C   UNL     1       3.837  -2.574   0.423  1.00  0.00           C  
HETATM   14  C   UNL     1       4.453  -1.924   1.663  1.00  0.00           C  
HETATM   15  C   UNL     1       3.347  -1.590   2.667  1.00  0.00           C  
HETATM   16  C   UNL     1       5.448  -2.893   2.305  1.00  0.00           C  
HETATM   17  C   UNL     1       1.537  -1.527   0.188  1.00  0.00           C  
HETATM   18  C   UNL     1       0.725  -2.627  -0.497  1.00  0.00           C  
HETATM   19  O   UNL     1       0.808  -2.468  -1.915  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.738  -2.530  -0.058  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.550  -3.630  -0.744  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.963  -3.612  -0.220  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.922  -2.836  -0.843  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.218  -2.819  -0.362  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.555  -3.579   0.743  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.596  -4.355   1.366  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.301  -4.376   0.882  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.274  -1.220  -0.435  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.314  -0.697   0.244  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.806  -1.312   1.170  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.855   0.623  -0.135  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.931   1.168   0.567  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.437   2.403   0.213  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.605   2.956   0.991  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.398   2.709   2.424  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.720   4.463   0.746  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.638   4.712  -0.766  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.339   4.326  -1.216  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.874   3.107  -0.842  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.800   2.563  -1.545  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.288   1.336  -1.195  1.00  0.00           C  
HETATM   42  H   UNL     1       7.105   5.274   1.908  1.00  0.00           H  
HETATM   43  H   UNL     1       7.044   3.518   2.191  1.00  0.00           H  
HETATM   44  H   UNL     1       7.503   4.146   0.590  1.00  0.00           H  
HETATM   45  H   UNL     1       3.049   3.905   0.211  1.00  0.00           H  
HETATM   46  H   UNL     1       2.221   1.839  -0.839  1.00  0.00           H  
HETATM   47  H   UNL     1       6.920   2.139   0.613  1.00  0.00           H  
HETATM   48  H   UNL     1       6.084   0.076  -0.436  1.00  0.00           H  
HETATM   49  H   UNL     1       3.275  -3.460   0.718  1.00  0.00           H  
HETATM   50  H   UNL     1       4.629  -2.860  -0.269  1.00  0.00           H  
HETATM   51  H   UNL     1       4.971  -1.009   1.375  1.00  0.00           H  
HETATM   52  H   UNL     1       2.747  -2.480   2.856  1.00  0.00           H  
HETATM   53  H   UNL     1       3.795  -1.249   3.601  1.00  0.00           H  
HETATM   54  H   UNL     1       2.712  -0.804   2.259  1.00  0.00           H  
HETATM   55  H   UNL     1       6.236  -3.131   1.590  1.00  0.00           H  
HETATM   56  H   UNL     1       5.887  -2.430   3.189  1.00  0.00           H  
HETATM   57  H   UNL     1       4.931  -3.808   2.593  1.00  0.00           H  
HETATM   58  H   UNL     1       1.474  -1.648   1.270  1.00  0.00           H  
HETATM   59  H   UNL     1       1.138  -0.552  -0.092  1.00  0.00           H  
HETATM   60  H   UNL     1       1.124  -3.602  -0.217  1.00  0.00           H  
HETATM   61  H   UNL     1       0.470  -1.621  -2.236  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.802  -2.651   1.023  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.560  -3.458  -1.820  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.098  -4.600  -0.536  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.659  -2.242  -1.706  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.967  -2.213  -0.849  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.567  -3.566   1.119  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.859  -4.949   2.229  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.552  -4.983   1.369  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.882  -0.729  -1.174  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.370   0.622   1.388  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.522   2.464   0.667  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.167   3.070   2.968  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.258   1.726   2.605  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.675   4.825   1.126  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.904   4.981   1.249  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.395   4.119  -1.278  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.799   5.770  -0.972  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.365   3.112  -2.368  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.452   0.922  -1.740  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3                                                 
CONECT    3    2    6    6    4                                       
CONECT    4    3    5    5   45                                       
CONECT    5    4    4    8   46                                       
CONECT    6    3    3    7   47                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    5    9                                       
CONECT    9    8   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   17                                            
CONECT   13   14   12   49   50                                       
CONECT   14   15   13   16   51                                       
CONECT   15   14   52   53   54                                       
CONECT   16   14   55   56   57                                       
CONECT   17   12   18   58   59                                       
CONECT   18   17   20   19   60                                       
CONECT   19   18   61                                                 
CONECT   20   18   28   21   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   65                                       
CONECT   24   25   25   23   66                                       
CONECT   25   26   24   24   67                                       
CONECT   26   27   27   25   68                                       
CONECT   27   26   26   22   69                                       
CONECT   28   20   29   70                                            
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   41   41   32                                       
CONECT   32   31   33   33   71                                       
CONECT   33   32   32   39   34                                       
CONECT   34   33   35   36   72                                       
CONECT   35   34   73   74                                            
CONECT   36   34   37   75   76                                       
CONECT   37   38   36   77   78                                       
CONECT   38   39   37                                                 
CONECT   39   40   40   33   38                                       
CONECT   40   41   39   39   79                                       
CONECT   41   31   31   40   80                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
