COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.304   1.791  -0.047  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.448   0.381  -0.231  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.305  -0.345  -0.356  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.072   0.285  -0.298  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.370  -1.724  -0.538  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.578  -2.347  -0.590  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.568  -3.764  -0.778  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.203  -2.459  -0.665  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.976  -1.823  -0.612  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.911  -0.455  -0.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.571   0.232  -0.363  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.085   0.270   1.087  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.671   0.852   1.136  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.797   0.076   0.275  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.433  -1.145   0.695  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.854  -1.577   1.743  1.00  0.00           O  
HETATM   17  C   UNL     1       0.502  -1.976  -0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       0.036  -3.431  -0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       0.195  -4.031   1.241  1.00  0.00           C  
HETATM   20  C   UNL     1       1.673  -4.008   1.638  1.00  0.00           C  
HETATM   21  C   UNL     1       2.167  -2.560   1.678  1.00  0.00           C  
HETATM   22  N   UNL     1       1.856  -1.899   0.410  1.00  0.00           N  
HETATM   23  C   UNL     1       2.811  -1.215  -0.251  1.00  0.00           C  
HETATM   24  O   UNL     1       2.557  -0.702  -1.320  1.00  0.00           O  
HETATM   25  C   UNL     1       4.193  -1.085   0.334  1.00  0.00           C  
HETATM   26  C   UNL     1       5.025  -2.278  -0.059  1.00  0.00           C  
HETATM   27  S   UNL     1       5.820  -2.492  -1.614  1.00  0.00           S  
HETATM   28  C   UNL     1       6.462  -4.049  -1.105  1.00  0.00           C  
HETATM   29  C   UNL     1       6.065  -4.310   0.141  1.00  0.00           C  
HETATM   30  C   UNL     1       5.276  -3.331   0.720  1.00  0.00           C  
HETATM   31  N   UNL     1       4.812   0.153  -0.199  1.00  0.00           N  
HETATM   32  C   UNL     1       4.282   1.315   0.296  1.00  0.00           C  
HETATM   33  O   UNL     1       3.389   1.288   1.116  1.00  0.00           O  
HETATM   34  C   UNL     1       4.833   2.628  -0.198  1.00  0.00           C  
HETATM   35  C   UNL     1       4.849   2.635  -1.728  1.00  0.00           C  
HETATM   36  C   UNL     1       6.256   2.819   0.331  1.00  0.00           C  
HETATM   37  N   UNL     1       3.971   3.722   0.296  1.00  0.00           N  
HETATM   38  C   UNL     1       2.649   3.639  -0.024  1.00  0.00           C  
HETATM   39  O   UNL     1       2.232   2.710  -0.683  1.00  0.00           O  
HETATM   40  C   UNL     1       1.713   4.719   0.454  1.00  0.00           C  
HETATM   41  O   UNL     1       0.623   4.849  -0.460  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.539   4.226  -0.129  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.517   2.913   0.320  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.697   2.281   0.655  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.899   2.954   0.547  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.923   4.264   0.102  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.746   4.900  -0.236  1.00  0.00           C  
HETATM   48  H   UNL     1      -7.779   2.217  -0.902  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.290   2.248   0.039  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.734   1.982   0.862  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.018   1.354  -0.153  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.030  -4.236   0.043  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.594  -4.134  -0.802  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.075  -4.002  -1.720  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.251  -3.529  -0.805  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.067  -2.397  -0.711  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.853  -0.315  -0.973  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.667   1.250  -0.740  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.755   0.893   1.679  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.076  -0.742   1.494  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.298   0.819   2.160  1.00  0.00           H  
HETATM   62  H   UNL     1       0.508  -1.588  -1.166  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.012  -3.474  -0.453  1.00  0.00           H  
HETATM   64  H   UNL     1       0.637  -3.999  -0.867  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.383  -3.446   1.957  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.165  -5.060   1.238  1.00  0.00           H  
HETATM   67  H   UNL     1       1.792  -4.459   2.623  1.00  0.00           H  
HETATM   68  H   UNL     1       2.254  -4.571   0.908  1.00  0.00           H  
HETATM   69  H   UNL     1       1.674  -2.031   2.493  1.00  0.00           H  
HETATM   70  H   UNL     1       3.245  -2.549   1.837  1.00  0.00           H  
HETATM   71  H   UNL     1       4.128  -1.024   1.421  1.00  0.00           H  
HETATM   72  H   UNL     1       7.080  -4.695  -1.711  1.00  0.00           H  
HETATM   73  H   UNL     1       6.342  -5.216   0.661  1.00  0.00           H  
HETATM   74  H   UNL     1       4.888  -3.416   1.724  1.00  0.00           H  
HETATM   75  H   UNL     1       5.534   0.141  -0.847  1.00  0.00           H  
HETATM   76  H   UNL     1       3.834   2.504  -2.102  1.00  0.00           H  
HETATM   77  H   UNL     1       5.248   3.585  -2.083  1.00  0.00           H  
HETATM   78  H   UNL     1       5.477   1.820  -2.088  1.00  0.00           H  
HETATM   79  H   UNL     1       6.888   2.004  -0.025  1.00  0.00           H  
HETATM   80  H   UNL     1       6.653   3.769  -0.027  1.00  0.00           H  
HETATM   81  H   UNL     1       6.242   2.818   1.421  1.00  0.00           H  
HETATM   82  H   UNL     1       4.327   4.458   0.818  1.00  0.00           H  
HETATM   83  H   UNL     1       1.330   4.457   1.440  1.00  0.00           H  
HETATM   84  H   UNL     1       2.251   5.665   0.513  1.00  0.00           H  
HETATM   85  H   UNL     1       0.422   2.387   0.406  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.822   2.458   0.810  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.863   4.788   0.018  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.765   5.922  -0.583  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   10   10   51                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   52   53   54                                       
CONECT    8    5    9    9   55                                       
CONECT    9    8    8   10   56                                       
CONECT   10    4    4    9   11                                       
CONECT   11   12   10   57   58                                       
CONECT   12   13   11   59   60                                       
CONECT   13   14   12   44   61                                       
CONECT   14   15   13                                                 
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   22   15   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20   19   21   67   68                                       
CONECT   21   22   20   69   70                                       
CONECT   22   23   17   21                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   31   71                                       
CONECT   26   27   30   30   25                                       
CONECT   27   28   26                                                 
CONECT   28   29   29   27   72                                       
CONECT   29   28   28   30   73                                       
CONECT   30   29   26   26   74                                       
CONECT   31   25   32   75                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   36   37                                       
CONECT   35   34   76   77   78                                       
CONECT   36   34   79   80   81                                       
CONECT   37   34   38   82                                            
CONECT   38   39   39   37   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   83   84                                       
CONECT   41   40   42                                                 
CONECT   42   43   41   47   47                                       
CONECT   43   44   44   42   85                                       
CONECT   44   13   43   43   45                                       
CONECT   45   44   46   46   86                                       
CONECT   46   45   45   47   87                                       
CONECT   47   42   42   46   88                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
