COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.111   4.807  -3.600  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.641   3.521  -2.918  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.696   3.870  -1.766  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.226   2.584  -1.084  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.295   2.928   0.051  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.035   4.084   0.289  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.756   1.951   0.796  1.00  0.00           O  
HETATM    8  C   UNL     1       0.131   2.356   1.872  1.00  0.00           C  
HETATM    9  C   UNL     1       0.644   1.115   2.605  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.544   0.274   3.078  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.386  -0.029   1.964  1.00  0.00           O  
HETATM   12  P   UNL     1      -2.733  -0.900   2.095  1.00  0.00           P  
HETATM   13  O   UNL     1      -3.801  -0.105   3.001  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.420  -2.201   2.729  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.354  -1.153   0.631  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.495  -1.982   0.402  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.608  -1.151  -0.240  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.116  -0.581  -1.572  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.733  -1.729  -2.507  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.620  -2.560  -1.866  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.112  -3.130  -0.534  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.072  -3.906   0.065  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.261  -3.632  -2.740  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.273  -1.197  -3.751  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.975   0.248  -1.343  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.967  -0.078   0.634  1.00  0.00           O  
HETATM   27  O   UNL     1       1.467   0.327   1.704  1.00  0.00           O  
HETATM   28  C   UNL     1       2.780   0.604   1.679  1.00  0.00           C  
HETATM   29  O   UNL     1       3.227   1.476   2.385  1.00  0.00           O  
HETATM   30  C   UNL     1       3.696  -0.173   0.769  1.00  0.00           C  
HETATM   31  C   UNL     1       5.129   0.337   0.932  1.00  0.00           C  
HETATM   32  C   UNL     1       6.060  -0.451   0.008  1.00  0.00           C  
HETATM   33  C   UNL     1       7.493   0.059   0.171  1.00  0.00           C  
HETATM   34  C   UNL     1       8.423  -0.729  -0.753  1.00  0.00           C  
HETATM   35  C   UNL     1       9.857  -0.219  -0.590  1.00  0.00           C  
HETATM   36  C   UNL     1      10.787  -1.008  -1.513  1.00  0.00           C  
HETATM   37  C   UNL     1      12.220  -0.497  -1.350  1.00  0.00           C  
HETATM   38  C   UNL     1      13.151  -1.286  -2.274  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.248   5.348  -3.989  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.784   4.558  -4.420  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.635   5.431  -2.877  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.503   2.980  -2.529  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.116   2.896  -3.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.833   4.411  -2.155  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.220   4.495  -1.043  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.089   2.043  -0.695  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.702   1.959  -1.807  1.00  0.00           H  
HETATM   48  H   UNL     1       0.975   2.908   1.458  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.412   2.992   2.571  1.00  0.00           H  
HETATM   50  H   UNL     1       1.238   1.421   3.466  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.179  -0.652   3.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.112   0.834   3.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.053   0.758   2.645  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.846  -2.388   1.350  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.479  -1.783  -0.415  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.909   0.011  -2.029  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.603  -2.362  -2.682  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.749  -1.928  -1.691  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.982  -3.762  -0.709  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.778  -4.653  -0.474  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.940  -3.344  -3.605  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.012  -1.870  -4.395  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.609   0.644  -2.145  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.669   0.491   0.290  1.00  0.00           H  
HETATM   65  H   UNL     1       3.655  -1.231   1.029  1.00  0.00           H  
HETATM   66  H   UNL     1       3.379  -0.041  -0.266  1.00  0.00           H  
HETATM   67  H   UNL     1       5.170   1.395   0.672  1.00  0.00           H  
HETATM   68  H   UNL     1       5.447   0.205   1.966  1.00  0.00           H  
HETATM   69  H   UNL     1       6.019  -1.509   0.268  1.00  0.00           H  
HETATM   70  H   UNL     1       5.743  -0.319  -1.026  1.00  0.00           H  
HETATM   71  H   UNL     1       7.534   1.117  -0.089  1.00  0.00           H  
HETATM   72  H   UNL     1       7.810  -0.073   1.206  1.00  0.00           H  
HETATM   73  H   UNL     1       8.383  -1.787  -0.493  1.00  0.00           H  
HETATM   74  H   UNL     1       8.106  -0.597  -1.787  1.00  0.00           H  
HETATM   75  H   UNL     1       9.897   0.839  -0.850  1.00  0.00           H  
HETATM   76  H   UNL     1      10.174  -0.352   0.445  1.00  0.00           H  
HETATM   77  H   UNL     1      10.746  -2.066  -1.253  1.00  0.00           H  
HETATM   78  H   UNL     1      10.470  -0.875  -2.548  1.00  0.00           H  
HETATM   79  H   UNL     1      12.261   0.560  -1.610  1.00  0.00           H  
HETATM   80  H   UNL     1      12.537  -0.630  -0.316  1.00  0.00           H  
HETATM   81  H   UNL     1      13.110  -2.344  -2.014  1.00  0.00           H  
HETATM   82  H   UNL     1      12.833  -1.154  -3.308  1.00  0.00           H  
HETATM   83  H   UNL     1      14.172  -0.922  -2.158  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   48   49                                       
CONECT    9   27    8   10   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12                                                 
CONECT   12   14   14   11   13                                       
CONECT   12   15                                                      
CONECT   13   12   53                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21   54                                       
CONECT   17   26   16   18   55                                       
CONECT   18   17   25   19   56                                       
CONECT   19   18   24   20   57                                       
CONECT   20   21   19   23   58                                       
CONECT   21   16   22   20   59                                       
CONECT   22   21   60                                                 
CONECT   23   20   61                                                 
CONECT   24   19   62                                                 
CONECT   25   18   63                                                 
CONECT   26   17   64                                                 
CONECT   27   28    9                                                 
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   31   28   65   66                                       
CONECT   31   32   30   67   68                                       
CONECT   32   33   31   69   70                                       
CONECT   33   34   32   71   72                                       
CONECT   34   35   33   73   74                                       
CONECT   35   36   34   75   76                                       
CONECT   36   37   35   77   78                                       
CONECT   37   38   36   79   80                                       
CONECT   38   37   81   82   83                                       
CONECT   39    1                                                      
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    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
