COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.120   0.163   0.797  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.801  -0.339   1.657  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.760  -0.409   0.478  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.763  -1.928   0.638  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.360  -2.412   1.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.164  -3.861   0.552  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.201  -4.572   1.500  1.00  0.00           C  
HETATM    8  C   UNL     1       0.178  -4.773   0.884  1.00  0.00           C  
HETATM    9  C   UNL     1       0.770  -3.446   0.410  1.00  0.00           C  
HETATM   10  C   UNL     1       2.253  -3.361   0.784  1.00  0.00           C  
HETATM   11  C   UNL     1       2.907  -2.201   0.029  1.00  0.00           C  
HETATM   12  C   UNL     1       3.972  -1.535   0.905  1.00  0.00           C  
HETATM   13  C   UNL     1       4.958  -0.774   0.020  1.00  0.00           C  
HETATM   14  C   UNL     1       5.510   0.438   0.774  1.00  0.00           C  
HETATM   15  C   UNL     1       6.695   1.030   0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       6.624   2.558   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1       5.290   2.982  -0.552  1.00  0.00           C  
HETATM   18  C   UNL     1       4.304   3.350   0.266  1.00  0.00           C  
HETATM   19  C   UNL     1       2.997   3.724  -0.257  1.00  0.00           C  
HETATM   20  C   UNL     1       1.944   3.875   0.580  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.398  -0.052  -0.966  1.00  0.00           C  
HETATM   22  C   UNL     1       0.668   4.116   0.043  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.433   4.056   0.825  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.721   4.154   0.267  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.784   3.881   1.053  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.143   3.838   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.124   3.438   1.335  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.543   3.335   0.829  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.807   1.854   0.502  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.799   1.762  -0.658  1.00  0.00           C  
HETATM   31  C   UNL     1       5.103   2.982  -2.048  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.962  -0.494  -1.256  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.551   1.238   0.121  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.553  -0.017  -2.651  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.165  -0.564  -2.990  1.00  0.00           C  
HETATM   36  C   UNL     1       0.191  -0.191  -4.431  1.00  0.00           C  
HETATM   37  C   UNL     1       1.579  -0.738  -4.770  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.176  -2.530  -0.591  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.672  -3.884  -0.786  1.00  0.00           O  
HETATM   40  O   UNL     1       0.101  -5.692  -0.208  1.00  0.00           O  
HETATM   41  O   UNL     1       2.903  -4.582   0.430  1.00  0.00           O  
HETATM   42  O   UNL     1       4.674  -2.536   1.646  1.00  0.00           O  
HETATM   43  O   UNL     1       5.949   0.028   2.072  1.00  0.00           O  
HETATM   44  O   UNL     1       6.767   3.045   1.347  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.023   0.025   1.153  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.457  -2.210   1.430  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.614  -1.782   0.520  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.231  -2.354   2.085  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.132  -4.374   0.583  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.106  -3.992   2.421  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.620  -5.551   1.760  1.00  0.00           H  
HETATM   52  H   UNL     1       0.840  -5.200   1.648  1.00  0.00           H  
HETATM   53  H   UNL     1       0.674  -3.369  -0.674  1.00  0.00           H  
HETATM   54  H   UNL     1       0.236  -2.619   0.880  1.00  0.00           H  
HETATM   55  H   UNL     1       2.343  -3.198   1.858  1.00  0.00           H  
HETATM   56  H   UNL     1       3.377  -2.580  -0.880  1.00  0.00           H  
HETATM   57  H   UNL     1       2.149  -1.465  -0.238  1.00  0.00           H  
HETATM   58  H   UNL     1       3.492  -0.841   1.594  1.00  0.00           H  
HETATM   59  H   UNL     1       5.781  -1.433  -0.258  1.00  0.00           H  
HETATM   60  H   UNL     1       4.446  -0.434  -0.881  1.00  0.00           H  
HETATM   61  H   UNL     1       4.723   1.182   0.880  1.00  0.00           H  
HETATM   62  H   UNL     1       7.626   0.708   0.476  1.00  0.00           H  
HETATM   63  H   UNL     1       6.676   0.667  -1.025  1.00  0.00           H  
HETATM   64  H   UNL     1       7.422   2.964  -0.611  1.00  0.00           H  
HETATM   65  H   UNL     1       4.474   3.369   1.336  1.00  0.00           H  
HETATM   66  H   UNL     1       2.842   3.900  -1.313  1.00  0.00           H  
HETATM   67  H   UNL     1       2.084   3.812   1.650  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.079  -0.561  -1.648  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.481   1.026  -1.106  1.00  0.00           H  
HETATM   70  H   UNL     1       0.557   4.355  -1.009  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.319   3.929   1.896  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.853   4.443  -0.762  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.612   3.694   2.107  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.352   4.121  -0.495  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.904   3.181   2.366  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.236   3.673   1.596  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.656   3.935  -0.073  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.219   1.358   1.379  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.382   2.260  -1.533  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.988   0.715  -0.892  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.734   2.246  -0.376  1.00  0.00           H  
HETATM   82  H   UNL     1       4.732   2.008  -2.368  1.00  0.00           H  
HETATM   83  H   UNL     1       4.385   3.754  -2.325  1.00  0.00           H  
HETATM   84  H   UNL     1       6.058   3.184  -2.534  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.292  -0.062  -0.513  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.901  -1.582  -1.211  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.275  -0.377  -3.384  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.529   1.072  -2.669  1.00  0.00           H  
HETATM   89  H   UNL     1       0.571  -0.134  -2.311  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.166  -1.649  -2.885  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.544  -0.621  -5.110  1.00  0.00           H  
HETATM   92  H   UNL     1       0.193   0.894  -4.535  1.00  0.00           H  
HETATM   93  H   UNL     1       1.578  -1.823  -4.665  1.00  0.00           H  
HETATM   94  H   UNL     1       1.834  -0.472  -5.796  1.00  0.00           H  
HETATM   95  H   UNL     1       2.316  -0.308  -4.091  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.202  -3.497  -0.566  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.525  -4.774  -1.135  1.00  0.00           H  
HETATM   98  H   UNL     1       0.950  -5.860  -0.641  1.00  0.00           H  
HETATM   99  H   UNL     1       3.847  -4.600   0.639  1.00  0.00           H  
HETATM  100  H   UNL     1       5.365  -2.184   2.224  1.00  0.00           H  
HETATM  101  H   UNL     1       6.312   0.746   2.609  1.00  0.00           H  
HETATM  102  H   UNL     1       6.730   4.008   1.420  1.00  0.00           H  
CONECT    1    2    2    3   33                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   21   45                                       
CONECT    4    3    5   38   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7   39   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   40   52                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   41   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   42   58                                       
CONECT   13   12   14   59   60                                       
CONECT   14   13   15   43   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   44   64                                       
CONECT   17   16   18   18   31                                       
CONECT   18   17   17   19   65                                       
CONECT   19   18   20   20   66                                       
CONECT   20   19   19   22   67                                       
CONECT   21    3   32   68   69                                       
CONECT   22   20   23   23   70                                       
CONECT   23   22   22   24   71                                       
CONECT   24   23   25   25   72                                       
CONECT   25   24   24   26   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   28   30   33   78                                       
CONECT   30   29   79   80   81                                       
CONECT   31   17   82   83   84                                       
CONECT   32   21   34   85   86                                       
CONECT   33    1   29                                                 
CONECT   34   32   35   87   88                                       
CONECT   35   34   36   89   90                                       
CONECT   36   35   37   91   92                                       
CONECT   37   36   93   94   95                                       
CONECT   38    4   96                                                 
CONECT   39    6   97                                                 
CONECT   40    8   98                                                 
CONECT   41   10   99                                                 
CONECT   42   12  100                                                 
CONECT   43   14  101                                                 
CONECT   44   16  102                                                 
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
