COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.219   1.531   0.459  1.00  0.00           C  
HETATM    2  O   UNL     1     -12.528   1.067   0.853  1.00  0.00           O  
HETATM    3  C   UNL     1     -12.316  -0.252   1.401  1.00  0.00           C  
HETATM    4  O   UNL     1     -13.534  -1.000   1.385  1.00  0.00           O  
HETATM    5  C   UNL     1     -11.273  -0.905   0.467  1.00  0.00           C  
HETATM    6  O   UNL     1     -10.366  -1.714   1.217  1.00  0.00           O  
HETATM    7  C   UNL     1     -10.534   0.296  -0.167  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.146   0.266   0.172  1.00  0.00           O  
HETATM    9  C   UNL     1     -11.337   2.654  -0.573  1.00  0.00           C  
HETATM   10  O   UNL     1     -11.865   3.824   0.056  1.00  0.00           O  
HETATM   11  O   UNL     1       0.730  -0.337   0.479  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.352  -0.308  -0.454  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.824  -1.541   1.014  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.835  -0.152  -0.686  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.691   1.081  -1.394  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.163  -0.152   0.074  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.306  -1.385   0.782  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.317   0.004  -0.918  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.680  -0.308   0.306  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.548   0.121  -0.201  1.00  0.00           O  
HETATM   21  P   UNL     1      -7.973   0.299  -0.929  1.00  0.00           P  
HETATM   22  O   UNL     1      -8.006   1.710  -1.705  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.174  -0.801  -1.898  1.00  0.00           O  
HETATM   24  C   UNL     1       3.667  -1.689  -0.994  1.00  0.00           C  
HETATM   25  O   UNL     1       2.234  -1.569  -0.857  1.00  0.00           O  
HETATM   26  C   UNL     1       2.023  -0.339  -0.130  1.00  0.00           C  
HETATM   27  C   UNL     1       3.127  -0.324   0.951  1.00  0.00           C  
HETATM   28  O   UNL     1       3.617   1.003   1.147  1.00  0.00           O  
HETATM   29  C   UNL     1       4.233  -1.233   0.369  1.00  0.00           C  
HETATM   30  O   UNL     1       5.443  -0.494   0.187  1.00  0.00           O  
HETATM   31  C   UNL     1       4.056  -3.142  -1.273  1.00  0.00           C  
HETATM   32  O   UNL     1       3.559  -3.530  -2.555  1.00  0.00           O  
HETATM   33  O   UNL     1      14.809   2.477  -0.934  1.00  0.00           O  
HETATM   34  C   UNL     1      14.032   1.500  -0.239  1.00  0.00           C  
HETATM   35  O   UNL     1      12.205   3.034   0.147  1.00  0.00           O  
HETATM   36  C   UNL     1      11.715   0.668   0.184  1.00  0.00           C  
HETATM   37  O   UNL     1      12.054  -0.583  -0.418  1.00  0.00           O  
HETATM   38  C   UNL     1      10.227   0.951  -0.032  1.00  0.00           C  
HETATM   39  O   UNL     1       9.888   2.202   0.570  1.00  0.00           O  
HETATM   40  C   UNL     1       9.397  -0.164   0.607  1.00  0.00           C  
HETATM   41  C   UNL     1      12.545   1.783  -0.455  1.00  0.00           C  
HETATM   42  O   UNL     1       8.015   0.038   0.305  1.00  0.00           O  
HETATM   43  P   UNL     1       6.852  -0.950   0.819  1.00  0.00           P  
HETATM   44  O   UNL     1       6.765  -0.887   2.425  1.00  0.00           O  
HETATM   45  O   UNL     1       7.158  -2.335   0.396  1.00  0.00           O  
HETATM   46  H   UNL     1     -10.660   1.873   1.330  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.927  -0.183   2.417  1.00  0.00           H  
HETATM   48  H   UNL     1     -14.241  -0.610   1.917  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.767  -1.498  -0.302  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.788  -2.449   1.684  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.663   0.295  -1.250  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.352   2.875  -0.984  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.004   2.341  -1.376  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.967   4.579  -0.541  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.282   0.593  -1.063  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.301  -1.187  -1.097  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.820  -2.324   0.446  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.820  -0.981  -1.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.695   1.863  -0.826  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.177   0.677   0.781  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.302  -2.168   0.213  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.161   0.899  -1.520  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.358  -0.869  -1.569  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.694   0.521   1.013  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.880   2.478  -1.131  1.00  0.00           H  
HETATM   66  H   UNL     1       4.028  -1.039  -1.791  1.00  0.00           H  
HETATM   67  H   UNL     1       2.129   0.518  -0.795  1.00  0.00           H  
HETATM   68  H   UNL     1       2.750  -0.734   1.888  1.00  0.00           H  
HETATM   69  H   UNL     1       2.947   1.629   1.455  1.00  0.00           H  
HETATM   70  H   UNL     1       4.405  -2.092   1.018  1.00  0.00           H  
HETATM   71  H   UNL     1       5.142  -3.237  -1.259  1.00  0.00           H  
HETATM   72  H   UNL     1       3.626  -3.787  -0.506  1.00  0.00           H  
HETATM   73  H   UNL     1       3.769  -4.442  -2.798  1.00  0.00           H  
HETATM   74  H   UNL     1      15.765   2.359  -0.841  1.00  0.00           H  
HETATM   75  H   UNL     1      14.272   0.507  -0.619  1.00  0.00           H  
HETATM   76  H   UNL     1      14.260   1.545   0.826  1.00  0.00           H  
HETATM   77  H   UNL     1      12.367   3.068   1.100  1.00  0.00           H  
HETATM   78  H   UNL     1      11.925   0.625   1.253  1.00  0.00           H  
HETATM   79  H   UNL     1      11.893  -0.617  -1.371  1.00  0.00           H  
HETATM   80  H   UNL     1      10.017   0.993  -1.101  1.00  0.00           H  
HETATM   81  H   UNL     1      10.049   2.236   1.523  1.00  0.00           H  
HETATM   82  H   UNL     1       9.718  -1.128   0.211  1.00  0.00           H  
HETATM   83  H   UNL     1       9.540  -0.150   1.687  1.00  0.00           H  
HETATM   84  H   UNL     1      12.334   1.826  -1.524  1.00  0.00           H  
HETATM   85  H   UNL     1       6.567  -0.007   2.774  1.00  0.00           H  
CONECT    1    9    2    7   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5   47                                       
CONECT    4    3   48                                                 
CONECT    5    3    7    6   49                                       
CONECT    6    5   50                                                 
CONECT    7    1    5    8   51                                       
CONECT    8    7   21                                                 
CONECT    9   10    1   52   53                                       
CONECT   10    9   54                                                 
CONECT   11   12   26                                                 
CONECT   12   11   19   56   55                                       
CONECT   13   19   57                                                 
CONECT   14   16   19   15   58                                       
CONECT   15   14   59                                                 
CONECT   16   17   18   14   60                                       
CONECT   17   16   61                                                 
CONECT   18   20   16   62   63                                       
CONECT   19   12   14   13   64                                       
CONECT   20   21   18                                                 
CONECT   21   23   23    8   20                                       
CONECT   21   22                                                      
CONECT   22   21   65                                                 
CONECT   23   21   21                                                 
CONECT   24   31   25   29   66                                       
CONECT   25   24   26                                                 
CONECT   26   25   11   27   67                                       
CONECT   27   29   26   28   68                                       
CONECT   28   27   69                                                 
CONECT   29   24   30   27   70                                       
CONECT   30   29   43                                                 
CONECT   31   32   24   71   72                                       
CONECT   32   31   73                                                 
CONECT   33   34   74                                                 
CONECT   34   33   41   76   75                                       
CONECT   35   41   77                                                 
CONECT   36   41   38   37   78                                       
CONECT   37   36   79                                                 
CONECT   38   40   36   39   80                                       
CONECT   39   38   81                                                 
CONECT   40   42   38   82   83                                       
CONECT   41   35   34   36   84                                       
CONECT   42   43   40                                                 
CONECT   43   30   45   45   42                                       
CONECT   43   44                                                      
CONECT   44   43   85                                                 
CONECT   45   43   43                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
