COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.366  -3.158  -0.407  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.785  -4.790  -2.096  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.099  -1.388  -0.375  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.242  -3.588   1.760  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.652  -4.562   2.545  1.00  0.00           C  
HETATM    6  C   UNL     1       0.296  -4.209   3.488  1.00  0.00           C  
HETATM    7  C   UNL     1       0.652  -2.883   3.646  1.00  0.00           C  
HETATM    8  C   UNL     1       0.063  -1.910   2.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.904  -0.540  -2.606  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.507  -2.572  -0.773  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.188   3.137  -0.438  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.880   3.975  -1.290  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.891   3.470  -2.089  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.688  -0.376   0.176  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.451  -2.694   0.856  1.00  0.00           N  
HETATM   16  O   UNL     1      -4.102  -0.796  -0.884  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.046  -1.319   1.160  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.798  -4.399  -0.698  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.905  -2.454  -1.283  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.523  -1.202   1.059  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.880  -2.263   1.914  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.298  -0.372  -1.292  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.312  -1.724  -3.004  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.113  -2.740  -2.087  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.507   1.786  -0.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.210   2.126  -2.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.525   1.284  -1.184  1.00  0.00           C  
HETATM   28  C   UNL     1       0.521   3.706   2.681  1.00  0.00           C  
HETATM   29  C   UNL     1       1.862   3.621   1.947  1.00  0.00           C  
HETATM   30  N   UNL     1       1.796   4.433   0.723  1.00  0.00           N  
HETATM   31  C   UNL     1       0.712   3.968  -0.153  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.618   4.049   0.602  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.525   3.279   1.804  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.739   3.491  -0.277  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.803   0.933   0.473  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.083   3.686   0.427  1.00  0.00           C  
HETATM   37  C   UNL     1       2.152   2.165   1.579  1.00  0.00           C  
HETATM   38  O   UNL     1       3.475   2.069   0.989  1.00  0.00           O  
HETATM   39  C   UNL     1       3.887   0.846   0.607  1.00  0.00           C  
HETATM   40  N   UNL     1       5.105   0.688   0.052  1.00  0.00           N  
HETATM   41  O   UNL     1       3.161  -0.116   0.762  1.00  0.00           O  
HETATM   42  C   UNL     1       5.554  -0.644  -0.364  1.00  0.00           C  
HETATM   43  C   UNL     1       6.939  -0.547  -0.949  1.00  0.00           C  
HETATM   44  C   UNL     1       8.045  -0.684  -0.131  1.00  0.00           C  
HETATM   45  C   UNL     1       9.316  -0.595  -0.667  1.00  0.00           C  
HETATM   46  C   UNL     1       9.481  -0.371  -2.022  1.00  0.00           C  
HETATM   47  C   UNL     1       8.375  -0.235  -2.839  1.00  0.00           C  
HETATM   48  C   UNL     1       7.104  -0.328  -2.303  1.00  0.00           C  
HETATM   49  H   UNL     1      -4.238  -5.776  -2.202  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.352  -4.066  -2.681  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.757  -4.822  -2.455  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.982  -3.864   1.023  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.931  -5.597   2.421  1.00  0.00           H  
HETATM   54  H   UNL     1       0.756  -4.969   4.101  1.00  0.00           H  
HETATM   55  H   UNL     1       1.392  -2.607   4.383  1.00  0.00           H  
HETATM   56  H   UNL     1       0.342  -0.874   2.985  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.060   0.253  -3.322  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.351  -3.365  -0.057  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.633   5.025  -1.332  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.431   4.128  -2.753  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.780  -3.270   1.563  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.364  -1.061   2.170  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.211  -0.217   1.406  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.761   0.553  -0.981  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.005  -1.856  -4.031  1.00  0.00           H  
HETATM   66  H   UNL     1       0.351  -3.664  -2.398  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.000   1.736  -2.662  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.775   0.234  -1.144  1.00  0.00           H  
HETATM   69  H   UNL     1       0.545   3.060   3.559  1.00  0.00           H  
HETATM   70  H   UNL     1       0.340   4.735   2.991  1.00  0.00           H  
HETATM   71  H   UNL     1       2.655   3.999   2.593  1.00  0.00           H  
HETATM   72  H   UNL     1       1.688   5.412   0.944  1.00  0.00           H  
HETATM   73  H   UNL     1       0.665   4.600  -1.041  1.00  0.00           H  
HETATM   74  H   UNL     1       0.900   2.937  -0.450  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.832   5.089   0.850  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.749   4.018  -1.231  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.570   2.429  -0.450  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.398   1.284   1.281  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.252   4.749   0.601  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.073   3.159   1.382  1.00  0.00           H  
HETATM   81  H   UNL     1       2.109   1.548   2.476  1.00  0.00           H  
HETATM   82  H   UNL     1       1.409   1.816   0.862  1.00  0.00           H  
HETATM   83  H   UNL     1       5.569  -1.308   0.500  1.00  0.00           H  
HETATM   84  H   UNL     1       7.917  -0.859   0.927  1.00  0.00           H  
HETATM   85  H   UNL     1      10.181  -0.701  -0.029  1.00  0.00           H  
HETATM   86  H   UNL     1      10.474  -0.301  -2.441  1.00  0.00           H  
HETATM   87  H   UNL     1       8.503  -0.059  -3.897  1.00  0.00           H  
HETATM   88  H   UNL     1       6.240  -0.226  -2.943  1.00  0.00           H  
HETATM   89  H   UNL     1       5.685   1.455  -0.072  1.00  0.00           H  
HETATM   90  H   UNL     1       4.869  -1.039  -1.114  1.00  0.00           H  
CONECT    1   19   19   18   15                                       
CONECT    2   18   49   50   51                                       
CONECT    3   20   22   22   10                                       
CONECT    4   21   21    5   52                                       
CONECT    5    6    6    4   53                                       
CONECT    6    7    5    5   54                                       
CONECT    7    8    8    6   55                                       
CONECT    8    7    7   21   56                                       
CONECT    9   22   23   23   57                                       
CONECT   10    3   24   24   58                                       
CONECT   11   12   12   25   36                                       
CONECT   12   13   11   11   59                                       
CONECT   13   26   26   12   60                                       
CONECT   14   35   16   16   17                                       
CONECT   15    1   17   61                                            
CONECT   16   14   14                                                 
CONECT   17   14   15   20   62                                       
CONECT   18    2    1                                                 
CONECT   19    1    1                                                 
CONECT   20   17   21    3   63                                       
CONECT   21    8   20    4    4                                       
CONECT   22    3    3    9   64                                       
CONECT   23    9    9   24   65                                       
CONECT   24   10   10   23   66                                       
CONECT   25   27   27   11   35                                       
CONECT   26   13   13   27   67                                       
CONECT   27   26   25   25   68                                       
CONECT   28   33   29   69   70                                       
CONECT   29   28   30   37   71                                       
CONECT   30   29   31   72                                            
CONECT   31   32   30   73   74                                       
CONECT   32   33   34   31   75                                       
CONECT   33   28   32                                                 
CONECT   34   36   32   76   77                                       
CONECT   35   25   14   78                                            
CONECT   36   11   34   79   80                                       
CONECT   37   29   38   81   82                                       
CONECT   38   39   37                                                 
CONECT   39   40   38   41   41                                       
CONECT   40   39   42   89                                            
CONECT   41   39   39                                                 
CONECT   42   40   43   83   90                                       
CONECT   43   42   44   44   48                                       
CONECT   44   43   43   45   84                                       
CONECT   45   44   46   46   85                                       
CONECT   46   45   45   47   86                                       
CONECT   47   48   48   46   87                                       
CONECT   48   43   47   47   88                                       
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   42                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   40                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
