COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.139   2.978   1.939  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.433   0.830  -0.100  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.192   0.583  -1.405  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.649   0.236  -1.090  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.408  -0.011  -2.395  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.865  -0.358  -2.080  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.624  -0.605  -3.385  1.00  0.00           C  
HETATM    8  C   UNL     1       3.426  -2.206   0.528  1.00  0.00           C  
HETATM    9  C   UNL     1       3.892  -4.188  -0.920  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.692   0.640   2.625  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.269   1.961   2.115  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.228   1.420   0.870  1.00  0.00           C  
HETATM   13  C   UNL     1       8.679   4.316  -3.176  1.00  0.00           C  
HETATM   14  C   UNL     1       7.560   4.836  -2.271  1.00  0.00           C  
HETATM   15  C   UNL     1       6.470   3.770  -2.143  1.00  0.00           C  
HETATM   16  C   UNL     1       5.352   4.290  -1.238  1.00  0.00           C  
HETATM   17  C   UNL     1       4.262   3.224  -1.110  1.00  0.00           C  
HETATM   18  C   UNL     1       3.143   3.744  -0.205  1.00  0.00           C  
HETATM   19  C   UNL     1       2.053   2.678  -0.076  1.00  0.00           C  
HETATM   20  C   UNL     1       0.951   3.190   0.815  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.117   2.419   1.072  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.926   1.742   0.838  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.977   1.177  -0.415  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.801   1.325   1.930  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.660   0.197   1.741  1.00  0.00           O  
HETATM   26  P   UNL     1       0.169  -1.163   1.972  1.00  0.00           P  
HETATM   27  O   UNL     1       1.038  -1.040   3.322  1.00  0.00           O  
HETATM   28  O   UNL     1       1.151  -1.412   0.721  1.00  0.00           O  
HETATM   29  C   UNL     1       1.946  -2.591   0.578  1.00  0.00           C  
HETATM   30  O   UNL     1       3.655  -1.339  -0.584  1.00  0.00           O  
HETATM   31  C   UNL     1       4.276  -3.469   0.375  1.00  0.00           C  
HETATM   32  O   UNL     1       5.659  -3.109   0.328  1.00  0.00           O  
HETATM   33  O   UNL     1       4.687  -5.367  -1.064  1.00  0.00           O  
HETATM   34  C   UNL     1       2.412  -4.573  -0.871  1.00  0.00           C  
HETATM   35  O   UNL     1       2.054  -5.244  -2.080  1.00  0.00           O  
HETATM   36  C   UNL     1       1.562  -3.310  -0.717  1.00  0.00           C  
HETATM   37  O   UNL     1       0.180  -3.670  -0.670  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.772  -2.299   2.094  1.00  0.00           O  
HETATM   39  O   UNL     1       1.030   4.295   1.298  1.00  0.00           O  
HETATM   40  H   UNL     1      -1.536   3.889   1.491  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.705   3.210   2.911  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.895   1.657   0.439  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.467  -0.069   0.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.158   1.482  -2.021  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.730  -0.244  -1.944  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.683  -0.663  -0.474  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.111   1.063  -0.551  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.374   0.888  -3.011  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.946  -0.838  -2.934  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.899  -1.257  -1.464  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.327   0.469  -1.541  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.661  -0.852  -3.160  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.590   0.294  -4.001  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.162  -1.432  -3.923  1.00  0.00           H  
HETATM   55  H   UNL     1       3.699  -1.694   1.451  1.00  0.00           H  
HETATM   56  H   UNL     1       4.068  -3.526  -1.769  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.277   0.786   3.623  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.482  -0.110   2.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.993   2.344   2.834  1.00  0.00           H  
HETATM   60  H   UNL     1       9.105   3.411  -2.743  1.00  0.00           H  
HETATM   61  H   UNL     1       8.273   4.090  -4.162  1.00  0.00           H  
HETATM   62  H   UNL     1       9.455   5.075  -3.267  1.00  0.00           H  
HETATM   63  H   UNL     1       7.965   5.062  -1.285  1.00  0.00           H  
HETATM   64  H   UNL     1       7.134   5.741  -2.704  1.00  0.00           H  
HETATM   65  H   UNL     1       6.065   3.544  -3.129  1.00  0.00           H  
HETATM   66  H   UNL     1       6.897   2.865  -1.709  1.00  0.00           H  
HETATM   67  H   UNL     1       5.757   4.516  -0.252  1.00  0.00           H  
HETATM   68  H   UNL     1       4.925   5.195  -1.671  1.00  0.00           H  
HETATM   69  H   UNL     1       3.856   2.998  -2.096  1.00  0.00           H  
HETATM   70  H   UNL     1       4.688   2.319  -0.676  1.00  0.00           H  
HETATM   71  H   UNL     1       3.549   3.970   0.781  1.00  0.00           H  
HETATM   72  H   UNL     1       2.717   4.649  -0.638  1.00  0.00           H  
HETATM   73  H   UNL     1       1.648   2.452  -1.063  1.00  0.00           H  
HETATM   74  H   UNL     1       2.480   1.773   0.357  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.514   0.350  -0.954  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.942   2.076  -1.031  1.00  0.00           H  
HETATM   77  H   UNL     1       1.677  -0.314   3.312  1.00  0.00           H  
HETATM   78  H   UNL     1       1.771  -3.253   1.426  1.00  0.00           H  
HETATM   79  H   UNL     1       4.575  -1.054  -0.678  1.00  0.00           H  
HETATM   80  H   UNL     1       4.101  -4.130   1.223  1.00  0.00           H  
HETATM   81  H   UNL     1       6.258  -3.862   0.232  1.00  0.00           H  
HETATM   82  H   UNL     1       4.497  -5.874  -1.865  1.00  0.00           H  
HETATM   83  H   UNL     1       2.237  -5.234  -0.022  1.00  0.00           H  
HETATM   84  H   UNL     1       2.555  -6.056  -2.243  1.00  0.00           H  
HETATM   85  H   UNL     1       1.737  -2.649  -1.566  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.134  -4.130  -1.461  1.00  0.00           H  
CONECT    1   21   11   40   41                                       
CONECT    2    3   23   42   43                                       
CONECT    3    4    2   44   45                                       
CONECT    4    5    3   46   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6    7    5   50   51                                       
CONECT    7    6   52   53   54                                       
CONECT    8   29   30   31   55                                       
CONECT    9   34   31   33   56                                       
CONECT   10   11   25   57   58                                       
CONECT   11    1   22   10   59                                       
CONECT   12   23   22   24   24                                       
CONECT   13   14   60   61   62                                       
CONECT   14   13   15   63   64                                       
CONECT   15   14   16   65   66                                       
CONECT   16   15   17   67   68                                       
CONECT   17   16   18   69   70                                       
CONECT   18   17   19   71   72                                       
CONECT   19   18   20   73   74                                       
CONECT   20   19   39   39   21                                       
CONECT   21   20    1                                                 
CONECT   22   11   12                                                 
CONECT   23    2   12   75   76                                       
CONECT   24   12   12                                                 
CONECT   25   10   26                                                 
CONECT   26   25   38   38   28                                       
CONECT   26   27                                                      
CONECT   27   26   77                                                 
CONECT   28   26   29                                                 
CONECT   29   28   36    8   78                                       
CONECT   30    8   79                                                 
CONECT   31    8    9   32   80                                       
CONECT   32   31   81                                                 
CONECT   33    9   82                                                 
CONECT   34   36   35    9   83                                       
CONECT   35   34   84                                                 
CONECT   36   37   29   34   85                                       
CONECT   37   36   86                                                 
CONECT   38   26   26                                                 
CONECT   39   20   20                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
