COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.002   0.361  -0.846  1.00  0.00           C  
HETATM    2  C   UNL     1       3.992   1.441  -0.408  1.00  0.00           C  
HETATM    3  C   UNL     1       4.205   1.356   1.105  1.00  0.00           C  
HETATM    4  C   UNL     1       4.763  -0.023   1.463  1.00  0.00           C  
HETATM    5  C   UNL     1       3.772  -1.104   1.026  1.00  0.00           C  
HETATM    6  C   UNL     1       3.558  -1.020  -0.487  1.00  0.00           C  
HETATM    7  C   UNL     1       2.569  -2.102  -0.921  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.102  -1.267   0.479  1.00  0.00           O  
HETATM    9  O   UNL     1      -6.915  -1.188  -0.799  1.00  0.00           O  
HETATM   10  O   UNL     1       4.804  -1.220  -1.156  1.00  0.00           O  
HETATM   11  O   UNL     1       6.010  -0.221   0.793  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.902  -0.640  -0.399  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.983  -0.684   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.572   0.648  -0.857  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.434   1.243  -0.397  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.627   0.550   0.521  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.365   1.186   1.046  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.250   1.168  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.809   1.479  -1.423  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.172   2.176   0.374  1.00  0.00           C  
HETATM   21  C   UNL     1       1.098   1.947  -0.448  1.00  0.00           C  
HETATM   22  C   UNL     1       1.668   0.566  -0.129  1.00  0.00           C  
HETATM   23  C   UNL     1       2.788   0.447  -2.359  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.739   0.349   2.191  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.998  -0.791   1.461  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.575  -1.342   0.278  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.673  -0.259   0.058  1.00  0.00           C  
HETATM   28  C   UNL     1       0.678  -0.505  -0.598  1.00  0.00           C  
HETATM   29  C   UNL     1       1.224  -1.887  -0.221  1.00  0.00           C  
HETATM   30  H   UNL     1       4.944   1.289  -0.918  1.00  0.00           H  
HETATM   31  H   UNL     1       3.596   2.423  -0.664  1.00  0.00           H  
HETATM   32  H   UNL     1       4.911   2.126   1.416  1.00  0.00           H  
HETATM   33  H   UNL     1       3.253   1.506   1.614  1.00  0.00           H  
HETATM   34  H   UNL     1       4.916  -0.084   2.540  1.00  0.00           H  
HETATM   35  H   UNL     1       4.169  -2.086   1.283  1.00  0.00           H  
HETATM   36  H   UNL     1       2.821  -0.952   1.537  1.00  0.00           H  
HETATM   37  H   UNL     1       2.427  -2.052  -2.001  1.00  0.00           H  
HETATM   38  H   UNL     1       2.963  -3.083  -0.654  1.00  0.00           H  
HETATM   39  H   UNL     1       5.216  -2.075  -0.973  1.00  0.00           H  
HETATM   40  H   UNL     1       6.687   0.429   1.022  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.358  -1.211   1.640  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.210   1.159  -1.563  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.158   2.232  -0.733  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.558   2.203   1.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.245   2.478  -1.424  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.005   1.433  -2.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.576   0.748  -1.678  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.538   3.187   0.199  1.00  0.00           H  
HETATM   49  H   UNL     1       0.056   2.053   1.433  1.00  0.00           H  
HETATM   50  H   UNL     1       0.859   2.006  -1.510  1.00  0.00           H  
HETATM   51  H   UNL     1       1.834   2.711  -0.198  1.00  0.00           H  
HETATM   52  H   UNL     1       1.818   0.476   0.946  1.00  0.00           H  
HETATM   53  H   UNL     1       3.739   0.296  -2.869  1.00  0.00           H  
HETATM   54  H   UNL     1       2.082  -0.322  -2.670  1.00  0.00           H  
HETATM   55  H   UNL     1       2.390   1.430  -2.614  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.038   0.954   2.766  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.518  -0.055   2.838  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.274  -1.369   2.035  1.00  0.00           H  
HETATM   59  H   UNL     1       0.569  -0.448  -1.681  1.00  0.00           H  
HETATM   60  H   UNL     1       0.520  -2.655  -0.541  1.00  0.00           H  
HETATM   61  H   UNL     1       1.362  -1.945   0.858  1.00  0.00           H  
CONECT    1   22    2    6   23                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4    2   32   33                                       
CONECT    4   11    3    5   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    7    5    1   10                                       
CONECT    7   29    6   37   38                                       
CONECT    8   13   12                                                 
CONECT    9   12   12                                                 
CONECT   10    6   39                                                 
CONECT   11    4   40                                                 
CONECT   12   14    8    9    9                                       
CONECT   13   16   16    8   41                                       
CONECT   14   15   15   12   42                                       
CONECT   15   16   14   14   43                                       
CONECT   16   17   15   13   13                                       
CONECT   17   24   16   18   44                                       
CONECT   18   17   27   20   19                                       
CONECT   19   18   45   46   47                                       
CONECT   20   18   21   48   49                                       
CONECT   21   20   22   50   51                                       
CONECT   22   28   21    1   52                                       
CONECT   23    1   53   54   55                                       
CONECT   24   25   17   56   57                                       
CONECT   25   24   27   26   58                                       
CONECT   26   25   27                                                 
CONECT   27   25   18   26   28                                       
CONECT   28   27   22   29   59                                       
CONECT   29    7   28   60   61                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
