COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.913   0.274   3.816  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.208   0.461   5.303  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.178  -0.273   6.156  1.00  0.00           C  
HETATM    4  C   UNL     1       0.241   0.169   5.804  1.00  0.00           C  
HETATM    5  C   UNL     1       0.495  -0.060   4.307  1.00  0.00           C  
HETATM    6  C   UNL     1       1.937   0.274   3.969  1.00  0.00           C  
HETATM    7  C   UNL     1       2.188   0.492   2.481  1.00  0.00           C  
HETATM    8  C   UNL     1       1.050  -0.057   1.621  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.233   0.675   1.992  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.497   0.753   3.486  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.434   0.278   1.157  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.129   0.469  -0.342  1.00  0.00           C  
HETATM   13  C   UNL     1       0.113  -0.316  -0.676  1.00  0.00           C  
HETATM   14  C   UNL     1       1.321   0.196   0.147  1.00  0.00           C  
HETATM   15  C   UNL     1       2.462  -0.621  -0.483  1.00  0.00           C  
HETATM   16  C   UNL     1       2.096  -0.621  -1.994  1.00  0.00           C  
HETATM   17  C   UNL     1       0.631  -0.207  -2.089  1.00  0.00           C  
HETATM   18  C   UNL     1       1.227  -0.684   6.614  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.389   2.240   3.881  1.00  0.00           C  
HETATM   20  C   UNL     1       0.941  -1.570   1.840  1.00  0.00           C  
HETATM   21  C   UNL     1       1.581   1.681  -0.135  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.042   0.163  -3.170  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.431   0.730  -3.034  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.456  -0.400  -3.143  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.848   0.178  -3.110  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.707  -0.129  -4.049  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.037   0.577  -4.115  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.367  -1.190  -5.064  1.00  0.00           C  
HETATM   29  C   UNL     1       0.566   0.021  -4.499  1.00  0.00           C  
HETATM   30  C   UNL     1       4.064  -0.109  -3.304  1.00  0.00           C  
HETATM   31  C   UNL     1       4.876   0.836  -4.151  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.825  -1.071   1.383  1.00  0.00           O  
HETATM   33  O   UNL     1       2.935   0.315  -2.716  1.00  0.00           O  
HETATM   34  O   UNL     1       4.431  -1.251  -3.153  1.00  0.00           O  
HETATM   35  O   UNL     1       1.638  -0.538  -4.620  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.063   0.511  -5.585  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.303  -1.683   5.952  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.999  -0.787   3.574  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.638   0.840   3.231  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.201   0.036   5.514  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.237   1.514   5.567  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.366  -0.054   7.213  1.00  0.00           H  
HETATM   43  H   UNL     1       0.388   1.210   6.070  1.00  0.00           H  
HETATM   44  H   UNL     1       0.310  -1.131   4.144  1.00  0.00           H  
HETATM   45  H   UNL     1       2.243   1.176   4.514  1.00  0.00           H  
HETATM   46  H   UNL     1       2.592  -0.542   4.306  1.00  0.00           H  
HETATM   47  H   UNL     1       2.312   1.563   2.307  1.00  0.00           H  
HETATM   48  H   UNL     1       3.120  -0.010   2.199  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.059   1.753   1.720  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.276   0.933   1.408  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.975   0.082  -0.922  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.009   1.526  -0.565  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.066  -1.376  -0.480  1.00  0.00           H  
HETATM   54  H   UNL     1       2.512  -1.637  -0.108  1.00  0.00           H  
HETATM   55  H   UNL     1       3.418  -0.111  -0.326  1.00  0.00           H  
HETATM   56  H   UNL     1       2.223  -1.626  -2.402  1.00  0.00           H  
HETATM   57  H   UNL     1       1.042  -0.542   7.679  1.00  0.00           H  
HETATM   58  H   UNL     1       1.092  -1.735   6.359  1.00  0.00           H  
HETATM   59  H   UNL     1       2.248  -0.381   6.380  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.582   2.347   4.949  1.00  0.00           H  
HETATM   61  H   UNL     1       0.613   2.604   3.655  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.121   2.819   3.320  1.00  0.00           H  
HETATM   63  H   UNL     1       0.859  -1.777   2.907  1.00  0.00           H  
HETATM   64  H   UNL     1       0.056  -1.948   1.327  1.00  0.00           H  
HETATM   65  H   UNL     1       1.829  -2.060   1.442  1.00  0.00           H  
HETATM   66  H   UNL     1       1.621   1.844  -1.212  1.00  0.00           H  
HETATM   67  H   UNL     1       0.776   2.278   0.292  1.00  0.00           H  
HETATM   68  H   UNL     1       2.530   1.975   0.312  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.531   1.219  -2.065  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.606   1.457  -3.827  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.308  -0.936  -4.080  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.329  -1.088  -2.307  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.136   0.846  -2.312  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.612   0.190  -4.956  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.586   0.405  -3.189  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.873   1.646  -4.248  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.416  -1.653  -4.801  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.150  -1.948  -5.074  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.289  -0.736  -6.052  1.00  0.00           H  
HETATM   80  H   UNL     1       5.750   0.316  -4.541  1.00  0.00           H  
HETATM   81  H   UNL     1       4.266   1.195  -4.980  1.00  0.00           H  
HETATM   82  H   UNL     1       5.197   1.682  -3.544  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.591  -1.238   0.817  1.00  0.00           H  
HETATM   84  H   UNL     1       0.337   0.418  -6.460  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.211  -1.919   6.185  1.00  0.00           H  
CONECT    1    2   10   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4   37   42                                       
CONECT    4    3    5   18   43                                       
CONECT    5    4    6   10   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   14   20                                       
CONECT    9    8   10   11   49                                       
CONECT   10    1    5    9   19                                       
CONECT   11    9   12   32   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   17   53                                       
CONECT   14    8   13   15   21                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   33   56                                       
CONECT   17   13   16   22   22                                       
CONECT   18    4   57   58   59                                       
CONECT   19   10   60   61   62                                       
CONECT   20    8   63   64   65                                       
CONECT   21   14   66   67   68                                       
CONECT   22   17   17   23   29                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   26   73                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   74   75   76                                       
CONECT   28   26   77   78   79                                       
CONECT   29   22   35   35   36                                       
CONECT   30   31   33   34   34                                       
CONECT   31   30   80   81   82                                       
CONECT   32   11   83                                                 
CONECT   33   16   30                                                 
CONECT   34   30   30                                                 
CONECT   35   29   29                                                 
CONECT   36   29   84                                                 
CONECT   37    3   85                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
