COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.699   1.397  -3.137  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.431   1.938  -1.138  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.573   0.857  -1.052  1.00  0.00           C  
HETATM    4  O   UNL     1       4.649   3.130  -2.505  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.233   0.327   0.185  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.097  -5.353  -1.173  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.749   0.884   1.335  1.00  0.00           C  
HETATM    8  O   UNL     1       1.042  -3.039  -0.205  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.612   1.967   1.254  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.802   3.559  -0.051  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.956   2.497   0.024  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.757   2.456  -2.353  1.00  0.00           O  
HETATM   13  C   UNL     1       1.541  -1.896   0.333  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.176   1.834  -3.501  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.300   4.079   1.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.900  -2.228   1.640  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.171  -0.645  -0.784  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.347  -1.902  -0.887  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.919  -3.063  -1.373  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.167  -4.220  -1.470  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.838  -4.217  -1.079  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.262  -3.047  -0.590  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.020  -1.891  -0.501  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.754  -6.515  -1.684  1.00  0.00           C  
HETATM   25  C   UNL     1       1.704  -1.788   1.707  1.00  0.00           C  
HETATM   26  C   UNL     1       2.212  -0.624   2.252  1.00  0.00           C  
HETATM   27  C   UNL     1       2.558   0.432   1.429  1.00  0.00           C  
HETATM   28  C   UNL     1       2.397   0.327   0.060  1.00  0.00           C  
HETATM   29  C   UNL     1       1.894  -0.836  -0.490  1.00  0.00           C  
HETATM   30  C   UNL     1       3.112   1.700   2.026  1.00  0.00           C  
HETATM   31  C   UNL     1       4.636   1.600   2.110  1.00  0.00           C  
HETATM   32  C   UNL     1       5.207   1.520   0.719  1.00  0.00           C  
HETATM   33  C   UNL     1       6.230   0.651   0.401  1.00  0.00           C  
HETATM   34  C   UNL     1       6.830  -0.273   1.429  1.00  0.00           C  
HETATM   35  C   UNL     1       6.457   0.197   2.836  1.00  0.00           C  
HETATM   36  C   UNL     1       4.532   0.521   4.273  1.00  0.00           C  
HETATM   37  C   UNL     1       4.679   2.350  -0.259  1.00  0.00           C  
HETATM   38  C   UNL     1       5.172   2.314  -1.551  1.00  0.00           C  
HETATM   39  C   UNL     1       6.206   1.439  -1.870  1.00  0.00           C  
HETATM   40  C   UNL     1       6.730   0.612  -0.892  1.00  0.00           C  
HETATM   41  C   UNL     1       3.590   4.002  -2.104  1.00  0.00           C  
HETATM   42  C   UNL     1       7.760   0.473  -3.389  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.397   0.348   2.700  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.805  -1.055   2.573  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.303  -0.858   0.223  1.00  0.00           C  
HETATM   46  N   UNL     1      -3.733  -1.020   1.564  1.00  0.00           N  
HETATM   47  N   UNL     1       5.001   0.410   2.885  1.00  0.00           N  
HETATM   48  H   UNL     1      -5.165   0.422  -1.953  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.018   2.399   2.157  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.090   1.897  -3.437  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.478   0.787  -3.538  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.518   2.343  -4.402  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.962   4.922   0.982  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.853   3.301   1.709  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.466   4.412   1.801  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.375  -3.033   1.078  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.918  -2.019   1.214  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.788  -2.528   2.681  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.539   0.178  -0.451  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.594  -0.406  -1.760  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.955  -3.067  -1.677  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.616  -5.126  -1.849  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.574  -0.981  -0.126  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.052  -7.349  -1.706  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.598  -6.768  -1.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.114  -6.315  -2.693  1.00  0.00           H  
HETATM   67  H   UNL     1       1.434  -2.612   2.350  1.00  0.00           H  
HETATM   68  H   UNL     1       2.339  -0.539   3.321  1.00  0.00           H  
HETATM   69  H   UNL     1       2.667   1.153  -0.580  1.00  0.00           H  
HETATM   70  H   UNL     1       1.772  -0.919  -1.560  1.00  0.00           H  
HETATM   71  H   UNL     1       2.838   2.547   1.398  1.00  0.00           H  
HETATM   72  H   UNL     1       2.701   1.841   3.026  1.00  0.00           H  
HETATM   73  H   UNL     1       5.028   2.487   2.609  1.00  0.00           H  
HETATM   74  H   UNL     1       6.451  -1.284   1.273  1.00  0.00           H  
HETATM   75  H   UNL     1       7.915  -0.275   1.325  1.00  0.00           H  
HETATM   76  H   UNL     1       6.740  -0.563   3.563  1.00  0.00           H  
HETATM   77  H   UNL     1       6.971   1.132   3.058  1.00  0.00           H  
HETATM   78  H   UNL     1       3.443   0.539   4.288  1.00  0.00           H  
HETATM   79  H   UNL     1       4.890  -0.334   4.846  1.00  0.00           H  
HETATM   80  H   UNL     1       4.917   1.441   4.714  1.00  0.00           H  
HETATM   81  H   UNL     1       3.876   3.029  -0.010  1.00  0.00           H  
HETATM   82  H   UNL     1       7.533  -0.068  -1.137  1.00  0.00           H  
HETATM   83  H   UNL     1       3.266   4.596  -2.958  1.00  0.00           H  
HETATM   84  H   UNL     1       2.753   3.410  -1.734  1.00  0.00           H  
HETATM   85  H   UNL     1       3.944   4.664  -1.314  1.00  0.00           H  
HETATM   86  H   UNL     1       7.419  -0.540  -3.174  1.00  0.00           H  
HETATM   87  H   UNL     1       8.059   0.541  -4.435  1.00  0.00           H  
HETATM   88  H   UNL     1       8.611   0.714  -2.752  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.668   1.008   3.170  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.296   0.307   3.315  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.394  -1.368   3.533  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.581  -1.754   2.259  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.857  -1.758  -0.043  1.00  0.00           H  
CONECT    1   39   42                                                 
CONECT    2    3    3   11   12                                       
CONECT    3    2    2    5   48                                       
CONECT    4   38   41                                                 
CONECT    5    3    7    7   45                                       
CONECT    6   21   24                                                 
CONECT    7    5    5    9   43                                       
CONECT    8   13   22                                                 
CONECT    9    7   11   11   49                                       
CONECT   10   11   15                                                 
CONECT   11    2    9    9   10                                       
CONECT   12    2   14                                                 
CONECT   13    8   25   25   29                                       
CONECT   14   12   50   51   52                                       
CONECT   15   10   53   54   55                                       
CONECT   16   46   56   57   58                                       
CONECT   17   18   45   59   60                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   21   21   62                                       
CONECT   21    6   20   20   22                                       
CONECT   22    8   21   23   23                                       
CONECT   23   18   22   22   63                                       
CONECT   24    6   64   65   66                                       
CONECT   25   13   13   26   67                                       
CONECT   26   25   27   27   68                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   69                                       
CONECT   29   13   28   28   70                                       
CONECT   30   27   31   71   72                                       
CONECT   31   30   32   47   73                                       
CONECT   32   31   33   37   37                                       
CONECT   33   32   34   40   40                                       
CONECT   34   33   35   74   75                                       
CONECT   35   34   47   76   77                                       
CONECT   36   47   78   79   80                                       
CONECT   37   32   32   38   81                                       
CONECT   38    4   37   39   39                                       
CONECT   39    1   38   38   40                                       
CONECT   40   39   82   33   33                                       
CONECT   41    4   83   84   85                                       
CONECT   42    1   86   87   88                                       
CONECT   43    7   44   89   90                                       
CONECT   44   43   46   91   92                                       
CONECT   45    5   17   46   93                                       
CONECT   46   16   44   45                                            
CONECT   47   31   35   36                                            
CONECT   48    3                                                      
CONECT   49    9                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
