COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.405  -0.069   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1       9.121   0.417  -0.469  1.00  0.00           C  
HETATM    3  C   UNL     1       8.008   0.532   0.575  1.00  0.00           C  
HETATM    4  C   UNL     1       6.724   1.018  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       5.611   1.133   0.944  1.00  0.00           C  
HETATM    6  C   UNL     1       4.327   1.620   0.269  1.00  0.00           C  
HETATM    7  C   UNL     1       3.215   1.735   1.313  1.00  0.00           C  
HETATM    8  C   UNL     1       1.931   2.222   0.638  1.00  0.00           C  
HETATM    9  C   UNL     1       0.818   2.337   1.682  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.447   2.816   1.017  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.552   2.122   1.135  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.817   2.601   0.470  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.532   3.759  -0.318  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.370   1.495  -0.431  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.667   1.973  -1.087  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.589   2.385  -0.076  1.00  0.00           O  
HETATM   17  P   UNL     1      -7.061   2.947  -0.408  1.00  0.00           P  
HETATM   18  O   UNL     1      -7.788   1.964  -1.241  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.866   3.188   0.965  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.935   4.339  -1.208  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.641   0.301   0.373  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.644  -0.915  -0.207  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.422  -1.021  -1.394  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.923  -2.144   0.620  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.867  -3.384  -0.274  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.150  -4.632   0.565  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.094  -5.872  -0.329  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.377  -7.119   0.511  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.320  -8.359  -0.383  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.604  -9.607   0.456  1.00  0.00           C  
HETATM   31  H   UNL     1      10.702   0.641   0.977  1.00  0.00           H  
HETATM   32  H   UNL     1      10.230  -1.045   0.659  1.00  0.00           H  
HETATM   33  H   UNL     1       9.296   1.393  -0.922  1.00  0.00           H  
HETATM   34  H   UNL     1       8.824  -0.294  -1.240  1.00  0.00           H  
HETATM   35  H   UNL     1       7.833  -0.444   1.028  1.00  0.00           H  
HETATM   36  H   UNL     1       8.305   1.243   1.346  1.00  0.00           H  
HETATM   37  H   UNL     1       6.899   1.994  -0.553  1.00  0.00           H  
HETATM   38  H   UNL     1       6.427   0.308  -0.871  1.00  0.00           H  
HETATM   39  H   UNL     1       5.436   0.158   1.397  1.00  0.00           H  
HETATM   40  H   UNL     1       5.909   1.844   1.715  1.00  0.00           H  
HETATM   41  H   UNL     1       4.502   2.596  -0.184  1.00  0.00           H  
HETATM   42  H   UNL     1       4.030   0.909  -0.502  1.00  0.00           H  
HETATM   43  H   UNL     1       3.040   0.759   1.766  1.00  0.00           H  
HETATM   44  H   UNL     1       3.512   2.446   2.084  1.00  0.00           H  
HETATM   45  H   UNL     1       2.106   3.197   0.184  1.00  0.00           H  
HETATM   46  H   UNL     1       1.633   1.511  -0.133  1.00  0.00           H  
HETATM   47  H   UNL     1       0.643   1.361   2.135  1.00  0.00           H  
HETATM   48  H   UNL     1       1.115   3.047   2.453  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.442   3.731   0.444  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.557   1.207   1.708  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.555   2.853   1.232  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.945   3.590  -1.068  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.639   1.255  -1.202  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.451   2.814  -1.747  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.102   1.159  -1.667  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.762   3.528   0.841  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.468   5.032  -0.721  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.819   0.386   1.323  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.174  -2.230   1.408  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.914  -2.064   1.068  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.615  -3.299  -1.062  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.876  -3.465  -0.722  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.401  -4.717   1.353  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.141  -4.551   1.013  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.842  -5.786  -1.116  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.103  -5.952  -0.776  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.628  -7.205   1.298  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.367  -7.039   0.958  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.069  -8.274  -1.171  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.330  -8.440  -0.831  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.594  -9.526   0.904  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.563 -10.490  -0.181  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.855  -9.692   1.244  1.00  0.00           H  
HETATM   74  C   UNL     1      11.518  -0.184  -0.838  1.00  0.00           C  
HETATM   75  C   UNL     1      12.802  -0.671  -0.163  1.00  0.00           C  
HETATM   76  C   UNL     1      13.914  -0.786  -1.207  1.00  0.00           C  
HETATM   77  C   UNL     1      15.198  -1.273  -0.532  1.00  0.00           C  
HETATM   78  H   UNL     1      11.220  -0.896  -1.609  1.00  0.00           H  
HETATM   79  H   UNL     1      11.693   0.791  -1.291  1.00  0.00           H  
HETATM   80  H   UNL     1      13.099   0.040   0.608  1.00  0.00           H  
HETATM   81  H   UNL     1      12.627  -1.647   0.290  1.00  0.00           H  
HETATM   82  H   UNL     1      13.617  -1.497  -1.978  1.00  0.00           H  
HETATM   83  H   UNL     1      14.089   0.190  -1.660  1.00  0.00           H  
HETATM   84  H   UNL     1      15.496  -0.562   0.239  1.00  0.00           H  
HETATM   85  H   UNL     1      15.023  -2.248  -0.079  1.00  0.00           H  
HETATM   86  H   UNL     1      15.991  -1.355  -1.276  1.00  0.00           H  
CONECT    1    2   31   32   74                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   47   48                                       
CONECT   10    9   11   11   49                                       
CONECT   11   10   10   12   50                                       
CONECT   12   11   13   14   51                                       
CONECT   13   12   52                                                 
CONECT   14   12   21   15   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   17   20                                                      
CONECT   18   17   17                                                 
CONECT   19   17   56                                                 
CONECT   20   17   57                                                 
CONECT   21   22   14   58                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   59   60                                       
CONECT   25   26   24   61   62                                       
CONECT   26   27   25   63   64                                       
CONECT   27   28   26   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   30   28   69   70                                       
CONECT   30   29   71   72   73                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74    1   75   78   79                                       
CONECT   75   74   76   80   81                                       
CONECT   76   75   77   82   83                                       
CONECT   77   76   84   85   86                                       
CONECT   78   74                                                      
CONECT   79   74                                                      
CONECT   80   75                                                      
CONECT   81   75                                                      
CONECT   82   76                                                      
CONECT   83   76                                                      
CONECT   84   77                                                      
CONECT   85   77                                                      
CONECT   86   77                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
