COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.852  -3.881  -0.825  1.00  0.00           N  
HETATM    2  C   UNL     1       3.211   3.709   0.318  1.00  0.00           C  
HETATM    3  O   UNL     1       4.357   4.244  -0.348  1.00  0.00           O  
HETATM    4  C   UNL     1       3.507   2.275   0.791  1.00  0.00           C  
HETATM    5  O   UNL     1       5.850   2.760   1.402  1.00  0.00           O  
HETATM    6  C   UNL     1       4.648   2.290   1.775  1.00  0.00           C  
HETATM    7  O   UNL     1       4.483   1.880   2.899  1.00  0.00           O  
HETATM    8  C   UNL     1       2.250   1.723   1.467  1.00  0.00           C  
HETATM    9  O   UNL     1       2.814  -1.866   0.994  1.00  0.00           O  
HETATM   10  C   UNL     1       2.496   0.317   1.982  1.00  0.00           C  
HETATM   11  O   UNL     1       4.217  -4.140   0.143  1.00  0.00           O  
HETATM   12  C   UNL     1       1.923  -0.750   1.052  1.00  0.00           C  
HETATM   13  O   UNL     1       6.105  -2.754  -3.371  1.00  0.00           O  
HETATM   14  C   UNL     1       3.810  -1.762  -0.026  1.00  0.00           C  
HETATM   15  O   UNL     1       3.196  -1.912  -1.308  1.00  0.00           O  
HETATM   16  C   UNL     1       4.856  -2.862   0.169  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.658  -0.285  -0.008  1.00  0.00           O  
HETATM   18  C   UNL     1       5.887  -2.782  -0.962  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.376   0.376  -2.117  1.00  0.00           O  
HETATM   20  C   UNL     1       5.163  -2.900  -2.306  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.008   4.825   0.541  1.00  0.00           O  
HETATM   22  C   UNL     1       4.104  -1.799  -2.406  1.00  0.00           C  
HETATM   23  O   UNL     1       0.504   3.854   1.189  1.00  0.00           O  
HETATM   24  C   UNL     1       3.336  -1.947  -3.720  1.00  0.00           C  
HETATM   25  O   UNL     1       1.167   1.729   0.524  1.00  0.00           O  
HETATM   26  C   UNL     1       0.595  -1.193   1.594  1.00  0.00           C  
HETATM   27  C   UNL     1       0.185  -2.461   1.555  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.142  -2.787   2.066  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.803  -3.931   1.837  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.178  -4.001   2.171  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.083  -3.780   1.207  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.500  -3.537   1.461  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.227  -2.979   0.481  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.673  -2.618   0.665  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.064  -1.593  -0.408  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.582  -1.616  -0.602  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.079   0.498  -0.944  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.121   1.466  -0.544  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.363   2.117  -1.454  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.332   3.063  -1.019  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.417   3.496  -1.886  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.326   4.436  -1.442  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.528   3.799  -0.307  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.369   2.973  -0.877  1.00  0.00           C  
HETATM   45  C   UNL     1       0.824   3.036   0.061  1.00  0.00           C  
HETATM   46  C   UNL     1       2.028   3.654  -0.652  1.00  0.00           C  
HETATM   47  H   UNL     1       7.338  -3.828   0.058  1.00  0.00           H  
HETATM   48  H   UNL     1       6.400  -4.776  -0.937  1.00  0.00           H  
HETATM   49  H   UNL     1       2.958   4.334   1.174  1.00  0.00           H  
HETATM   50  H   UNL     1       4.238   5.147  -0.672  1.00  0.00           H  
HETATM   51  H   UNL     1       3.768   1.653  -0.065  1.00  0.00           H  
HETATM   52  H   UNL     1       1.991   2.390   2.289  1.00  0.00           H  
HETATM   53  H   UNL     1       3.570   0.160   2.081  1.00  0.00           H  
HETATM   54  H   UNL     1       2.034   0.214   2.964  1.00  0.00           H  
HETATM   55  H   UNL     1       3.547  -4.259   0.831  1.00  0.00           H  
HETATM   56  H   UNL     1       1.793  -0.333   0.053  1.00  0.00           H  
HETATM   57  H   UNL     1       5.715  -2.818  -4.253  1.00  0.00           H  
HETATM   58  H   UNL     1       4.292  -0.786   0.035  1.00  0.00           H  
HETATM   59  H   UNL     1       5.356  -2.724   1.128  1.00  0.00           H  
HETATM   60  H   UNL     1       6.411  -1.828  -0.911  1.00  0.00           H  
HETATM   61  H   UNL     1       4.682  -3.876  -2.377  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.686   5.382   0.946  1.00  0.00           H  
HETATM   63  H   UNL     1       4.590  -0.824  -2.376  1.00  0.00           H  
HETATM   64  H   UNL     1       2.581  -1.163  -3.791  1.00  0.00           H  
HETATM   65  H   UNL     1       4.028  -1.860  -4.558  1.00  0.00           H  
HETATM   66  H   UNL     1       2.850  -2.922  -3.750  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.050  -0.448   2.063  1.00  0.00           H  
HETATM   68  H   UNL     1       0.822  -3.239   1.163  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.636  -2.039   2.694  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.325  -4.792   1.391  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.483  -4.234   3.181  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.740  -3.793   0.169  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.935  -3.788   2.411  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.734  -2.773  -0.466  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.289  -3.512   0.559  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.819  -2.186   1.655  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.578  -1.851  -1.349  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.860  -0.897  -1.372  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.894  -2.615  -0.907  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.072  -1.352   0.336  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.990   1.686   0.507  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.514   1.951  -2.513  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.335   3.414   0.006  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.462   3.168  -2.915  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.661   4.643  -2.281  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.770   5.369  -1.094  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.182   3.148   0.273  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.686   1.936  -0.991  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.085   3.372  -1.851  1.00  0.00           H  
HETATM   90  H   UNL     1       1.778   4.663  -0.981  1.00  0.00           H  
HETATM   91  H   UNL     1       2.293   3.043  -1.516  1.00  0.00           H  
HETATM   92  H   UNL     1       6.551   2.750   2.068  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.238   3.526   1.715  1.00  0.00           H  
CONECT    1   18   47   48                                            
CONECT    2    3    4   46   49                                       
CONECT    3    2   50                                                 
CONECT    4    2    6    8   51                                       
CONECT    5    6   92                                                 
CONECT    6    4    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    4   10   25   52                                       
CONECT    9   12   14                                                 
CONECT   10    8   12   53   54                                       
CONECT   11   16   55                                                 
CONECT   12    9   10   26   56                                       
CONECT   13   20   57                                                 
CONECT   14    9   15   16   58                                       
CONECT   15   14   22                                                 
CONECT   16   11   14   18   59                                       
CONECT   17   35   37                                                 
CONECT   18    1   16   20   60                                       
CONECT   19   37   37                                                 
CONECT   20   13   18   22   61                                       
CONECT   21   43   62                                                 
CONECT   22   15   20   24   63                                       
CONECT   23   45   93                                                 
CONECT   24   22   64   65   66                                       
CONECT   25    8   45                                                 
CONECT   26   12   27   27   67                                       
CONECT   27   26   26   28   68                                       
CONECT   28   27   29   29   69                                       
CONECT   29   28   28   30   70                                       
CONECT   30   29   31   31   71                                       
CONECT   31   30   30   32   72                                       
CONECT   32   31   33   33   73                                       
CONECT   33   32   32   34   74                                       
CONECT   34   33   35   75   76                                       
CONECT   35   17   34   36   77                                       
CONECT   36   35   78   79   80                                       
CONECT   37   17   19   19   38                                       
CONECT   38   37   39   39   81                                       
CONECT   39   38   38   40   82                                       
CONECT   40   39   41   41   83                                       
CONECT   41   40   40   42   84                                       
CONECT   42   41   43   85   86                                       
CONECT   43   21   42   44   87                                       
CONECT   44   43   45   88   89                                       
CONECT   45   23   25   44   46                                       
CONECT   46    2   45   90   91                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92    5                                                      
CONECT   93   23                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
