COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.579  -2.055   2.944  1.00  0.00           C  
HETATM    2  C   UNL     1       6.939  -2.687   1.598  1.00  0.00           C  
HETATM    3  C   UNL     1       6.597  -1.729   0.486  1.00  0.00           C  
HETATM    4  C   UNL     1       7.423  -0.867  -0.097  1.00  0.00           C  
HETATM    5  C   UNL     1       8.877  -0.687   0.255  1.00  0.00           C  
HETATM    6  C   UNL     1       6.707  -0.116  -1.134  1.00  0.00           C  
HETATM    7  O   UNL     1       7.201   0.744  -1.838  1.00  0.00           O  
HETATM    8  N   UNL     1       5.424  -0.520  -1.192  1.00  0.00           N  
HETATM    9  C   UNL     1       5.251  -1.572  -0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       4.205  -1.145   0.851  1.00  0.00           C  
HETATM   11  C   UNL     1       2.854  -1.054   0.189  1.00  0.00           C  
HETATM   12  C   UNL     1       1.994  -2.076   0.006  1.00  0.00           C  
HETATM   13  C   UNL     1       2.210  -3.510   0.419  1.00  0.00           C  
HETATM   14  C   UNL     1       0.855  -1.558  -0.642  1.00  0.00           C  
HETATM   15  C   UNL     1       1.063  -0.239  -0.830  1.00  0.00           C  
HETATM   16  C   UNL     1       0.106   0.721  -1.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.885   1.221  -0.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.690   2.268   0.373  1.00  0.00           C  
HETATM   19  C   UNL     1       0.548   3.124   0.450  1.00  0.00           C  
HETATM   20  C   UNL     1       0.410   4.308  -0.509  1.00  0.00           C  
HETATM   21  C   UNL     1       1.648   5.164  -0.432  1.00  0.00           C  
HETATM   22  O   UNL     1       1.751   6.266  -1.192  1.00  0.00           O  
HETATM   23  O   UNL     1       2.548   4.858   0.314  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.839   2.414   1.153  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.727   1.425   0.757  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.118   0.700  -0.244  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.017   1.202   1.283  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.926   0.436   0.582  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.760  -0.062  -0.708  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.862  -0.763  -1.036  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.052  -1.336  -2.096  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.757  -0.725   0.048  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.187   0.010   1.043  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.791   0.307   2.391  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.112  -1.383   0.100  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.153  -0.459  -0.536  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.070   3.450   2.223  1.00  0.00           C  
HETATM   38  N   UNL     1       2.288   0.076  -0.322  1.00  0.00           N  
HETATM   39  C   UNL     1      -0.370  -2.335  -1.050  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.388  -2.321   0.092  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.613  -3.098  -0.316  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.644  -3.220   0.534  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.666  -3.610  -1.409  1.00  0.00           O  
HETATM   44  H   UNL     1       5.511  -1.837   2.969  1.00  0.00           H  
HETATM   45  H   UNL     1       6.826  -2.748   3.749  1.00  0.00           H  
HETATM   46  H   UNL     1       7.142  -1.131   3.075  1.00  0.00           H  
HETATM   47  H   UNL     1       8.007  -2.905   1.574  1.00  0.00           H  
HETATM   48  H   UNL     1       6.376  -3.611   1.468  1.00  0.00           H  
HETATM   49  H   UNL     1       9.484  -1.358  -0.354  1.00  0.00           H  
HETATM   50  H   UNL     1       9.173   0.345   0.063  1.00  0.00           H  
HETATM   51  H   UNL     1       9.028  -0.918   1.310  1.00  0.00           H  
HETATM   52  H   UNL     1       4.742  -0.182  -1.792  1.00  0.00           H  
HETATM   53  H   UNL     1       4.950  -2.505  -0.658  1.00  0.00           H  
HETATM   54  H   UNL     1       4.167  -1.879   1.655  1.00  0.00           H  
HETATM   55  H   UNL     1       4.475  -0.171   1.260  1.00  0.00           H  
HETATM   56  H   UNL     1       1.833  -3.657   1.431  1.00  0.00           H  
HETATM   57  H   UNL     1       1.678  -4.169  -0.267  1.00  0.00           H  
HETATM   58  H   UNL     1       3.275  -3.739   0.391  1.00  0.00           H  
HETATM   59  H   UNL     1       0.661   1.564  -1.898  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.426   0.211  -2.290  1.00  0.00           H  
HETATM   61  H   UNL     1       0.671   3.494   1.468  1.00  0.00           H  
HETATM   62  H   UNL     1       1.418   2.530   0.171  1.00  0.00           H  
HETATM   63  H   UNL     1       0.287   3.938  -1.527  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.460   4.902  -0.231  1.00  0.00           H  
HETATM   65  H   UNL     1       2.563   6.783  -1.108  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.508  -0.054  -0.714  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.097   0.914   2.974  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.726   0.850   2.258  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.985  -0.628   2.916  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.080  -2.325  -0.448  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.383  -1.575   1.138  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.185   0.483   0.011  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.882  -0.267  -1.574  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.132  -0.935  -0.499  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.521   4.337   1.778  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.737   3.044   2.983  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.117   3.718   2.681  1.00  0.00           H  
HETATM   78  H   UNL     1       2.689   0.959  -0.320  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.812  -1.878  -1.936  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.090  -3.364  -1.274  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.946  -2.778   0.978  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.668  -1.291   0.316  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.408  -3.728   0.228  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.293   1.631   2.235  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.984   0.074  -1.274  1.00  0.00           H  
CONECT    1   44   45   46    2                                       
CONECT    2    3    1   47   48                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   49   50   51                                       
CONECT    6    4    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   52    9                                            
CONECT    9    8    3   53   10                                       
CONECT   10    9   54   55   11                                       
CONECT   11   38   10   12   12                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   56   57   58                                       
CONECT   14   12   15   15   39                                       
CONECT   15   14   14   38   16                                       
CONECT   16   15   59   60   17                                       
CONECT   17   26   16   18   18                                       
CONECT   18   17   17   19   24                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   63   64   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   65                                                 
CONECT   23   21   21                                                 
CONECT   24   18   25   25   37                                       
CONECT   25   24   24   27   26                                       
CONECT   26   17   25   66                                            
CONECT   27   25   28   28   84                                       
CONECT   28   33   27   27   29                                       
CONECT   29   28   30   85                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   33   35                                       
CONECT   33   28   32   32   34                                       
CONECT   34   33   67   68   69                                       
CONECT   35   32   70   71   36                                       
CONECT   36   35   72   73   74                                       
CONECT   37   24   75   76   77                                       
CONECT   38   11   15   78                                            
CONECT   39   40   14   79   80                                       
CONECT   40   39   41   81   82                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   83                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   42                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
