COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.613  -0.460  -0.068  1.00  0.00           C  
HETATM    2  C   UNL     1       4.972   3.367  -0.272  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.097   2.420   0.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.537   1.882   0.225  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.977   1.344   0.234  1.00  0.00           C  
HETATM    6  C   UNL     1       4.288   0.976  -0.485  1.00  0.00           C  
HETATM    7  C   UNL     1       5.337   1.926   0.099  1.00  0.00           C  
HETATM    8  C   UNL     1       2.581   2.655  -0.351  1.00  0.00           C  
HETATM    9  C   UNL     1       3.560   3.673   0.239  1.00  0.00           C  
HETATM   10  C   UNL     1       0.256   2.073  -0.408  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.184   1.535  -0.399  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.624   0.998  -0.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.063   0.460  -0.380  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.417   0.806   0.244  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.503  -0.078  -0.371  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.857   0.269   0.253  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.943  -0.616  -0.362  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.297  -0.269   0.262  1.00  0.00           C  
HETATM   19  O   UNL     1       3.703  -1.359  -0.707  1.00  0.00           O  
HETATM   20  O   UNL     1       2.995   1.334   0.007  1.00  0.00           O  
HETATM   21  O   UNL     1       6.622   1.606  -0.436  1.00  0.00           O  
HETATM   22  O   UNL     1       3.181   4.990  -0.165  1.00  0.00           O  
HETATM   23  O   UNL     1       1.271   2.899   0.166  1.00  0.00           O  
HETATM   24  O   UNL     1       5.904   4.267   0.330  1.00  0.00           O  
HETATM   25  C   UNL     1       3.921  -2.733  -0.383  1.00  0.00           C  
HETATM   26  C   UNL     1       3.069  -3.615  -1.300  1.00  0.00           C  
HETATM   27  C   UNL     1       1.588  -3.309  -1.059  1.00  0.00           C  
HETATM   28  C   UNL     1       1.267  -3.531   0.422  1.00  0.00           C  
HETATM   29  C   UNL     1       2.188  -2.653   1.273  1.00  0.00           C  
HETATM   30  C   UNL     1       1.915  -2.913   2.756  1.00  0.00           C  
HETATM   31  O   UNL     1       3.397  -3.343  -2.664  1.00  0.00           O  
HETATM   32  O   UNL     1       0.784  -4.179  -1.858  1.00  0.00           O  
HETATM   33  O   UNL     1       1.474  -4.905   0.755  1.00  0.00           O  
HETATM   34  O   UNL     1       3.550  -2.967   0.978  1.00  0.00           O  
HETATM   35  O   UNL     1       2.690  -2.012   3.549  1.00  0.00           O  
HETATM   36  H   UNL     1       5.633  -0.703  -0.365  1.00  0.00           H  
HETATM   37  H   UNL     1       4.517  -0.554   1.014  1.00  0.00           H  
HETATM   38  H   UNL     1       5.001   3.483  -1.356  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.055   2.249   1.292  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.329   3.467   0.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.495   1.711   1.301  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.769   2.929   0.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.935   1.174   1.310  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.208   2.392   0.041  1.00  0.00           H  
HETATM   45  H   UNL     1       4.297   1.049  -1.573  1.00  0.00           H  
HETATM   46  H   UNL     1       5.357   1.824   1.184  1.00  0.00           H  
HETATM   47  H   UNL     1       2.567   2.750  -1.436  1.00  0.00           H  
HETATM   48  H   UNL     1       3.545   3.605   1.327  1.00  0.00           H  
HETATM   49  H   UNL     1       0.488   1.026  -0.215  1.00  0.00           H  
HETATM   50  H   UNL     1       0.215   2.244  -1.484  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.225   1.706  -1.475  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.952   0.488  -0.206  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.665   1.168  -1.465  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.392  -0.050  -0.197  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.105   0.630  -1.456  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.832  -0.588  -0.187  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.375   0.636   1.319  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.648   1.854   0.051  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.545   0.093  -1.447  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.272  -1.125  -0.178  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.815   0.098   1.329  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.088   1.316   0.060  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.985  -0.445  -1.438  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.712  -1.663  -0.169  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.071  -0.899  -0.176  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.255  -0.440   1.338  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.528   0.778   0.069  1.00  0.00           H  
HETATM   68  H   UNL     1       7.335   2.173  -0.112  1.00  0.00           H  
HETATM   69  H   UNL     1       2.295   5.249   0.121  1.00  0.00           H  
HETATM   70  H   UNL     1       5.733   5.199   0.137  1.00  0.00           H  
HETATM   71  H   UNL     1       4.974  -2.977  -0.520  1.00  0.00           H  
HETATM   72  H   UNL     1       3.265  -4.665  -1.081  1.00  0.00           H  
HETATM   73  H   UNL     1       1.380  -2.273  -1.326  1.00  0.00           H  
HETATM   74  H   UNL     1       0.228  -3.262   0.614  1.00  0.00           H  
HETATM   75  H   UNL     1       1.999  -1.603   1.048  1.00  0.00           H  
HETATM   76  H   UNL     1       0.855  -2.760   2.963  1.00  0.00           H  
HETATM   77  H   UNL     1       2.188  -3.940   3.001  1.00  0.00           H  
HETATM   78  H   UNL     1       4.322  -3.515  -2.889  1.00  0.00           H  
HETATM   79  H   UNL     1       0.935  -4.091  -2.809  1.00  0.00           H  
HETATM   80  H   UNL     1       0.924  -5.519   0.251  1.00  0.00           H  
HETATM   81  H   UNL     1       2.566  -2.120   4.502  1.00  0.00           H  
CONECT    1    6   19   36   37                                       
CONECT    2    9   24    7   38                                       
CONECT    3   11   10   39   40                                       
CONECT    4   12   11   41   42                                       
CONECT    5   12   13   43   44                                       
CONECT    6   20    7    1   45                                       
CONECT    7    2    6   21   46                                       
CONECT    8   23    9   20   47                                       
CONECT    9   22    8    2   48                                       
CONECT   10    3   23   49   50                                       
CONECT   11    4    3   51   52                                       
CONECT   12    5    4   53   54                                       
CONECT   13    5   14   55   56                                       
CONECT   14   15   13   57   58                                       
CONECT   15   16   14   59   60                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   65   66   67                                       
CONECT   19   25    1                                                 
CONECT   20    8    6                                                 
CONECT   21    7   68                                                 
CONECT   22    9   69                                                 
CONECT   23   10    8                                                 
CONECT   24    2   70                                                 
CONECT   25   26   34   19   71                                       
CONECT   26   31   25   27   72                                       
CONECT   27   26   32   28   73                                       
CONECT   28   33   27   29   74                                       
CONECT   29   34   30   28   75                                       
CONECT   30   29   35   76   77                                       
CONECT   31   26   78                                                 
CONECT   32   27   79                                                 
CONECT   33   28   80                                                 
CONECT   34   25   29                                                 
CONECT   35   30   81                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   35                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
