COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.963  -0.268  -2.401  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.228   0.248  -0.985  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.613  -0.214  -0.526  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.165  -0.305  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.795   0.257  -0.418  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.732  -0.295   0.533  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.362   0.267   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.352   1.781   0.366  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.282  -0.380   1.019  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.251  -1.911   0.785  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.808  -2.255   0.324  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.981  -1.097   0.895  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.901   0.119   0.606  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.889   0.435  -0.891  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.346   1.294   1.389  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.962   1.613   0.803  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.030   0.406   0.864  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.654  -0.832   0.207  1.00  0.00           C  
HETATM   19  C   UNL     1       0.287  -2.021   0.437  1.00  0.00           C  
HETATM   20  C   UNL     1       1.650  -1.682  -0.093  1.00  0.00           C  
HETATM   21  C   UNL     1       2.092  -0.463  -0.188  1.00  0.00           C  
HETATM   22  C   UNL     1       3.493  -0.245  -0.732  1.00  0.00           C  
HETATM   23  C   UNL     1       1.296   0.747   0.205  1.00  0.00           C  
HETATM   24  C   UNL     1       1.006   1.559  -1.059  1.00  0.00           C  
HETATM   25  C   UNL     1       2.134   1.627   1.137  1.00  0.00           C  
HETATM   26  C   UNL     1       3.472   1.946   0.468  1.00  0.00           C  
HETATM   27  C   UNL     1       4.258   0.652   0.245  1.00  0.00           C  
HETATM   28  O   UNL     1       5.563   0.968  -0.307  1.00  0.00           O  
HETATM   29  C   UNL     1       6.570   0.132  -0.008  1.00  0.00           C  
HETATM   30  O   UNL     1       6.367  -0.832   0.692  1.00  0.00           O  
HETATM   31  C   UNL     1       7.953   0.395  -0.546  1.00  0.00           C  
HETATM   32  C   UNL     1       8.906  -0.699  -0.060  1.00  0.00           C  
HETATM   33  C   UNL     1      10.289  -0.435  -0.597  1.00  0.00           C  
HETATM   34  O   UNL     1      11.295  -1.271  -0.299  1.00  0.00           O  
HETATM   35  O   UNL     1      10.491   0.529  -1.297  1.00  0.00           O  
HETATM   36  H   UNL     1      -8.976   0.061  -2.728  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.002  -1.357  -2.405  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.720   0.126  -3.079  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.189   1.337  -0.982  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.652  -1.303  -0.530  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.802   0.153   0.483  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.370   0.180  -1.204  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.404  -0.011   0.988  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.144  -1.392  -0.104  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.556  -0.036  -1.441  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.815   1.345  -0.348  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.971  -0.001   1.555  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.711  -1.383   0.463  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.161   0.049  -0.901  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.376   2.182   0.092  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.121   2.242  -0.254  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.552   1.999   1.415  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.465  -0.162   2.071  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.483  -2.435   1.712  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.967  -2.186   0.010  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.484  -3.205   0.748  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.745  -2.274  -0.763  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.844  -1.223   1.969  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.809  -0.657  -0.857  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.611   1.224  -1.102  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.893   0.766  -1.185  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.155  -0.460  -1.453  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.003   2.157   1.280  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.252   1.027   2.442  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.078   1.920  -0.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.518   2.433   1.367  1.00  0.00           H  
HETATM   67  H   UNL     1       0.167   0.177   1.912  1.00  0.00           H  
HETATM   68  H   UNL     1       0.354  -2.231   1.504  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.099  -2.897  -0.085  1.00  0.00           H  
HETATM   70  H   UNL     1       2.293  -2.489  -0.411  1.00  0.00           H  
HETATM   71  H   UNL     1       4.003  -1.204  -0.826  1.00  0.00           H  
HETATM   72  H   UNL     1       3.437   0.238  -1.708  1.00  0.00           H  
HETATM   73  H   UNL     1       4.381   0.133   1.195  1.00  0.00           H  
HETATM   74  H   UNL     1       0.476   2.473  -0.790  1.00  0.00           H  
HETATM   75  H   UNL     1       1.945   1.815  -1.550  1.00  0.00           H  
HETATM   76  H   UNL     1       0.391   0.968  -1.738  1.00  0.00           H  
HETATM   77  H   UNL     1       1.599   2.554   1.340  1.00  0.00           H  
HETATM   78  H   UNL     1       2.313   1.098   2.073  1.00  0.00           H  
HETATM   79  H   UNL     1       3.292   2.431  -0.491  1.00  0.00           H  
HETATM   80  H   UNL     1       4.048   2.614   1.109  1.00  0.00           H  
HETATM   81  H   UNL     1       7.925   0.395  -1.635  1.00  0.00           H  
HETATM   82  H   UNL     1       8.302   1.365  -0.191  1.00  0.00           H  
HETATM   83  H   UNL     1       8.933  -0.699   1.030  1.00  0.00           H  
HETATM   84  H   UNL     1       8.557  -1.668  -0.414  1.00  0.00           H  
HETATM   85  H   UNL     1      12.165  -1.061  -0.666  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3    4   39                                       
CONECT    3    2   40   41   42                                       
CONECT    4    2    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8    9   49                                       
CONECT    8    7   50   51   52                                       
CONECT    9    7   10   13   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   18   58                                       
CONECT   13    9   12   14   15                                       
CONECT   14   13   60   61   62                                       
CONECT   15   13   16   63   64                                       
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   23   67                                       
CONECT   18   12   17   19   59                                       
CONECT   19   18   20   68   69                                       
CONECT   20   19   21   21   70                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   27   71   72                                       
CONECT   23   17   21   24   25                                       
CONECT   24   23   74   75   76                                       
CONECT   25   23   26   77   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27   22   26   28   73                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   85                                                 
CONECT   35   33   33                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   18                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   27                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
