COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.217  -2.260   0.913  1.00  0.00           O  
HETATM    2  C   UNL     1       6.348  -0.341   0.396  1.00  0.00           C  
HETATM    3  C   UNL     1       6.022  -0.490  -1.068  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.454  -2.814  -0.784  1.00  0.00           O  
HETATM    5  C   UNL     1       7.110  -1.059  -1.980  1.00  0.00           C  
HETATM    6  C   UNL     1       5.890  -1.910  -1.622  1.00  0.00           C  
HETATM    7  C   UNL     1       5.101   0.584  -1.651  1.00  0.00           C  
HETATM    8  C   UNL     1       3.773   0.547  -0.941  1.00  0.00           C  
HETATM    9  C   UNL     1       3.343   1.605  -0.299  1.00  0.00           C  
HETATM   10  C   UNL     1       2.076   1.531   0.513  1.00  0.00           C  
HETATM   11  C   UNL     1       2.367   1.958   1.954  1.00  0.00           C  
HETATM   12  C   UNL     1       1.027   2.465  -0.093  1.00  0.00           C  
HETATM   13  C   UNL     1       0.689   2.027  -1.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.845   1.775  -1.577  1.00  0.00           C  
HETATM   15  O   UNL     1       4.054  -1.742  -0.171  1.00  0.00           O  
HETATM   16  C   UNL     1       4.570  -1.907   0.918  1.00  0.00           C  
HETATM   17  O   UNL     1       4.051  -2.803   1.781  1.00  0.00           O  
HETATM   18  C   UNL     1       2.948  -3.617   1.302  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421  -4.485   2.447  1.00  0.00           C  
HETATM   20  C   UNL     1       5.758  -1.128   1.292  1.00  0.00           C  
HETATM   21  O   UNL     1       5.699   1.870  -1.476  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.285   2.352   0.669  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.461   0.914   1.160  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.355   2.639  -0.422  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.533   3.305   1.815  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.865   2.903   2.471  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.025   2.961   1.480  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.667   2.241   0.188  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.461   1.324  -0.362  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.732   0.976   0.278  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.536   0.047  -0.279  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.170  -0.641  -1.535  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.648   0.020  -2.567  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.418  -2.136  -1.591  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.826  -2.412  -1.056  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.955  -1.870   0.368  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.855  -0.346   0.356  1.00  0.00           C  
HETATM   38  H   UNL     1      -8.368  -1.951   1.817  1.00  0.00           H  
HETATM   39  H   UNL     1       7.061   0.404   0.717  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.538  -2.668  -1.058  1.00  0.00           H  
HETATM   41  H   UNL     1       7.170  -0.668  -2.996  1.00  0.00           H  
HETATM   42  H   UNL     1       8.062  -1.326  -1.522  1.00  0.00           H  
HETATM   43  H   UNL     1       6.039  -2.737  -0.927  1.00  0.00           H  
HETATM   44  H   UNL     1       5.147  -2.079  -2.402  1.00  0.00           H  
HETATM   45  H   UNL     1       4.950   0.396  -2.714  1.00  0.00           H  
HETATM   46  H   UNL     1       3.174  -0.352  -0.961  1.00  0.00           H  
HETATM   47  H   UNL     1       3.898   2.531  -0.351  1.00  0.00           H  
HETATM   48  H   UNL     1       1.699   0.509   0.507  1.00  0.00           H  
HETATM   49  H   UNL     1       1.479   1.802   2.566  1.00  0.00           H  
HETATM   50  H   UNL     1       3.191   1.364   2.349  1.00  0.00           H  
HETATM   51  H   UNL     1       2.639   3.014   1.972  1.00  0.00           H  
HETATM   52  H   UNL     1       1.385   3.494  -0.082  1.00  0.00           H  
HETATM   53  H   UNL     1       0.954   2.819  -2.244  1.00  0.00           H  
HETATM   54  H   UNL     1       1.225   1.112  -1.791  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.270   2.105  -2.524  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.066   0.722  -1.402  1.00  0.00           H  
HETATM   57  H   UNL     1       2.150  -2.970   0.939  1.00  0.00           H  
HETATM   58  H   UNL     1       3.294  -4.257   0.491  1.00  0.00           H  
HETATM   59  H   UNL     1       3.191  -5.193   2.751  1.00  0.00           H  
HETATM   60  H   UNL     1       2.157  -3.849   3.293  1.00  0.00           H  
HETATM   61  H   UNL     1       1.538  -5.030   2.113  1.00  0.00           H  
HETATM   62  H   UNL     1       6.153  -1.194   2.296  1.00  0.00           H  
HETATM   63  H   UNL     1       5.818   2.127  -0.551  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.472   0.782   1.544  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.295   0.224   0.332  1.00  0.00           H  
HETATM   66  H   UNL     1       0.259   0.710   1.953  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.355   3.693  -0.699  1.00  0.00           H  
HETATM   68  H   UNL     1       0.276   3.228   2.541  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.598   4.326   1.439  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.778   1.888   2.858  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.070   3.581   3.300  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.900   2.486   1.925  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.257   4.003   1.259  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.168   0.837  -1.281  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.024   1.462   1.197  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.482   1.085  -2.499  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.390  -0.509  -3.473  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.342  -2.482  -2.622  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.560  -1.924  -1.697  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.008  -3.487  -1.052  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.153  -2.277   0.985  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.898   0.032   1.377  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.679   0.068  -0.225  1.00  0.00           H  
CONECT    1   36   38                                                 
CONECT    2   20   20    3   39                                       
CONECT    3    5    6    2    7                                       
CONECT    4   34   40                                                 
CONECT    5    6    3   41   42                                       
CONECT    6    5    3   43   44                                       
CONECT    7    3   21    8   45                                       
CONECT    8    7    9    9   46                                       
CONECT    9    8    8   10   47                                       
CONECT   10    9   11   12   48                                       
CONECT   11   10   49   50   51                                       
CONECT   12   10   22   13   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   24   55   56                                       
CONECT   15   16   16                                                 
CONECT   16   17   20   15   15                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   57   58                                       
CONECT   19   18   59   60   61                                       
CONECT   20    2    2   16   62                                       
CONECT   21    7   63                                                 
CONECT   22   23   25   12   24                                       
CONECT   23   22   64   65   66                                       
CONECT   24   22   28   14   67                                       
CONECT   25   26   22   68   69                                       
CONECT   26   25   27   70   71                                       
CONECT   27   26   28   72   73                                       
CONECT   28   29   29   27   24                                       
CONECT   29   30   28   28   74                                       
CONECT   30   31   31   29   75                                       
CONECT   31   37   32   30   30                                       
CONECT   32   33   33   31   34                                       
CONECT   33   32   32   76   77                                       
CONECT   34    4   35   32   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   37   35    1   81                                       
CONECT   37   31   36   82   83                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
