COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.432   1.008   7.828  1.00  0.00           C  
HETATM    2  C   UNL     1       1.704   1.927   7.679  1.00  0.00           C  
HETATM    3  C   UNL     1       2.836   3.828   6.136  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.656   1.651   8.569  1.00  0.00           N  
HETATM    5  C   UNL     1       2.120   2.454   9.063  1.00  0.00           C  
HETATM    6  C   UNL     1       1.571   3.034   6.599  1.00  0.00           C  
HETATM    7  O   UNL     1       0.534   3.952   6.966  1.00  0.00           O  
HETATM    8  O   UNL     1       2.434   4.421   4.868  1.00  0.00           O  
HETATM    9  O   UNL     1       3.698   1.711   5.197  1.00  0.00           O  
HETATM   10  O   UNL     1       5.255   1.818   3.500  1.00  0.00           O  
HETATM   11  C   UNL     1       5.070   2.685   6.896  1.00  0.00           C  
HETATM   12  C   UNL     1       6.252   1.900   6.389  1.00  0.00           C  
HETATM   13  C   UNL     1       4.421   1.204   4.152  1.00  0.00           C  
HETATM   14  C   UNL     1       4.102  -0.284   3.977  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.883  -1.738   4.949  1.00  0.00           O  
HETATM   16  C   UNL     1       5.096  -0.903   2.990  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.528  -1.996   5.361  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.489  -3.485   5.737  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.281  -1.157   6.647  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.034   0.366   6.471  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.241   1.072   5.833  1.00  0.00           C  
HETATM   22  C   UNL     1       3.194   5.037   7.015  1.00  0.00           C  
HETATM   23  C   UNL     1       4.095   2.988   5.759  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.915  -1.587   2.156  1.00  0.00           O  
HETATM   25  O   UNL     1       0.063  -2.492   3.051  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.511  -1.547  -0.410  1.00  0.00           O  
HETATM   27  O   UNL     1       2.427  -0.662   2.206  1.00  0.00           O  
HETATM   28  O   UNL     1       2.067  -1.682  -0.471  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.367  -0.685  -1.427  1.00  0.00           O  
HETATM   30  O   UNL     1       0.921   1.045   1.543  1.00  0.00           O  
HETATM   31  N   UNL     1       0.057  -4.903   0.777  1.00  0.00           N  
HETATM   32  C   UNL     1       1.929  -1.655   4.414  1.00  0.00           C  
HETATM   33  C   UNL     1       2.568  -3.021   4.133  1.00  0.00           C  
HETATM   34  C   UNL     1       0.391  -1.638   4.153  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.505  -1.748   1.976  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.136  -2.425   0.654  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.838  -3.785   0.470  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.089  -3.901   1.354  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.759  -2.537   1.499  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.048  -2.636   2.304  1.00  0.00           C  
HETATM   41  C   UNL     1       1.264  -4.831  -0.045  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.629  -6.177   0.568  1.00  0.00           C  
HETATM   43  C   UNL     1       2.612  -0.499   3.610  1.00  0.00           C  
HETATM   44  C   UNL     1       2.276   0.596   1.556  1.00  0.00           C  
HETATM   45  C   UNL     1       2.849   0.530   0.137  1.00  0.00           C  
HETATM   46  C   UNL     1       1.967  -0.296  -0.815  1.00  0.00           C  
HETATM   47  C   UNL     1       3.404  -2.139  -0.578  1.00  0.00           C  
HETATM   48  C   UNL     1       2.485  -0.178  -2.251  1.00  0.00           C  
HETATM   49  C   UNL     1       0.503   0.172  -0.693  1.00  0.00           C  
HETATM   50  C   UNL     1       0.045   0.219   0.771  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.359   0.806   0.902  1.00  0.00           C  
HETATM   52  H   UNL     1       0.767   0.191   8.480  1.00  0.00           H  
HETATM   53  H   UNL     1       2.511   1.255   7.364  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.466   1.910   8.059  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.456   1.977   9.484  1.00  0.00           H  
HETATM   56  H   UNL     1       2.167   1.636   9.787  1.00  0.00           H  
HETATM   57  H   UNL     1       3.105   2.928   9.014  1.00  0.00           H  
HETATM   58  H   UNL     1       1.399   3.193   9.425  1.00  0.00           H  
HETATM   59  H   UNL     1       1.187   2.561   5.690  1.00  0.00           H  
HETATM   60  H   UNL     1       0.264   3.710   7.864  1.00  0.00           H  
HETATM   61  H   UNL     1       1.845   5.157   5.089  1.00  0.00           H  
HETATM   62  H   UNL     1       4.527   2.126   7.651  1.00  0.00           H  
HETATM   63  H   UNL     1       5.384   3.633   7.318  1.00  0.00           H  
HETATM   64  H   UNL     1       5.945   0.943   5.955  1.00  0.00           H  
HETATM   65  H   UNL     1       6.804   2.454   5.622  1.00  0.00           H  
HETATM   66  H   UNL     1       6.933   1.697   7.221  1.00  0.00           H  
HETATM   67  H   UNL     1       4.311  -0.727   4.960  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.263  -1.164   5.628  1.00  0.00           H  
HETATM   69  H   UNL     1       4.850  -1.952   2.804  1.00  0.00           H  
HETATM   70  H   UNL     1       5.072  -0.369   2.035  1.00  0.00           H  
HETATM   71  H   UNL     1       6.114  -0.853   3.387  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.048  -3.663   6.661  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.932  -4.094   4.943  1.00  0.00           H  
HETATM   74  H   UNL     1       0.543  -3.815   5.890  1.00  0.00           H  
HETATM   75  H   UNL     1       0.590  -1.584   7.162  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.137  -1.285   7.324  1.00  0.00           H  
HETATM   77  H   UNL     1       0.795   0.469   5.770  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.054   1.271   4.774  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.137   0.449   5.914  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.438   2.025   6.333  1.00  0.00           H  
HETATM   81  H   UNL     1       4.092   5.535   6.636  1.00  0.00           H  
HETATM   82  H   UNL     1       2.375   5.762   7.023  1.00  0.00           H  
HETATM   83  H   UNL     1       3.385   4.720   8.045  1.00  0.00           H  
HETATM   84  H   UNL     1       4.656   3.552   5.002  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.042  -0.842  -0.010  1.00  0.00           H  
HETATM   86  H   UNL     1       0.023  -1.572  -1.391  1.00  0.00           H  
HETATM   87  H   UNL     1       2.112  -1.433   5.470  1.00  0.00           H  
HETATM   88  H   UNL     1       2.296  -3.741   4.911  1.00  0.00           H  
HETATM   89  H   UNL     1       2.231  -3.413   3.169  1.00  0.00           H  
HETATM   90  H   UNL     1       3.659  -2.937   4.109  1.00  0.00           H  
HETATM   91  H   UNL     1       0.092  -0.638   3.817  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.073  -0.743   2.017  1.00  0.00           H  
HETATM   93  H   UNL     1       0.952  -2.547   0.585  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.144  -3.890  -0.578  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.782  -4.633   0.922  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.818  -4.272   2.352  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.011  -2.135   0.511  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.608  -1.697   2.250  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.683  -3.438   1.916  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.829  -2.847   3.355  1.00  0.00           H  
HETATM  101  H   UNL     1       1.000  -4.876  -1.105  1.00  0.00           H  
HETATM  102  H   UNL     1       1.930  -5.667   0.187  1.00  0.00           H  
HETATM  103  H   UNL     1       1.796  -3.895   0.146  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.389  -6.326   1.341  1.00  0.00           H  
HETATM  105  H   UNL     1       0.085  -7.003   0.614  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.116  -6.189  -0.411  1.00  0.00           H  
HETATM  107  H   UNL     1       2.065   0.418   3.854  1.00  0.00           H  
HETATM  108  H   UNL     1       2.850   1.323   2.140  1.00  0.00           H  
HETATM  109  H   UNL     1       2.923   1.553  -0.253  1.00  0.00           H  
HETATM  110  H   UNL     1       3.857   0.099   0.175  1.00  0.00           H  
HETATM  111  H   UNL     1       4.072  -1.285  -0.715  1.00  0.00           H  
HETATM  112  H   UNL     1       3.490  -2.822  -1.427  1.00  0.00           H  
HETATM  113  H   UNL     1       3.674  -2.667   0.340  1.00  0.00           H  
HETATM  114  H   UNL     1       3.561   0.024  -2.256  1.00  0.00           H  
HETATM  115  H   UNL     1       2.307  -1.106  -2.802  1.00  0.00           H  
HETATM  116  H   UNL     1       1.979   0.637  -2.777  1.00  0.00           H  
HETATM  117  H   UNL     1       0.420   1.178  -1.124  1.00  0.00           H  
HETATM  118  H   UNL     1       0.015  -0.789   1.203  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.967   0.544   0.031  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.855   0.419   1.797  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.314   1.896   0.976  1.00  0.00           H  
CONECT    1   20    4    2   52                                       
CONECT    2    1    5    6   53                                       
CONECT    3    6    8   23   22                                       
CONECT    4    1   54   55                                            
CONECT    5    2   56   57   58                                       
CONECT    6    2    3    7   59                                       
CONECT    7    6   60                                                 
CONECT    8    3   61                                                 
CONECT    9   13   23                                                 
CONECT   10   13   13                                                 
CONECT   11   23   12   62   63                                       
CONECT   12   11   64   65   66                                       
CONECT   13    9   10   10   14                                       
CONECT   14   13   43   16   67                                       
CONECT   15   17   68                                                 
CONECT   16   14   69   70   71                                       
CONECT   17   15   18   19   34                                       
CONECT   18   17   72   73   74                                       
CONECT   19   17   20   75   76                                       
CONECT   20    1   19   21   77                                       
CONECT   21   20   78   79   80                                       
CONECT   22    3   81   82   83                                       
CONECT   23    3    9   11   84                                       
CONECT   24   39   35                                                 
CONECT   25   35   34                                                 
CONECT   26   36   85                                                 
CONECT   27   43   44                                                 
CONECT   28   47   46                                                 
CONECT   29   49   86                                                 
CONECT   30   50   44                                                 
CONECT   31   41   42   37                                            
CONECT   32   34   33   43   87                                       
CONECT   33   32   88   89   90                                       
CONECT   34   17   25   32   91                                       
CONECT   35   24   25   36   92                                       
CONECT   36   26   35   37   93                                       
CONECT   37   31   36   38   94                                       
CONECT   38   37   39   95   96                                       
CONECT   39   24   38   40   97                                       
CONECT   40   39   98   99  100                                       
CONECT   41   31  101  102  103                                       
CONECT   42   31  104  105  106                                       
CONECT   43   14   27   32  107                                       
CONECT   44   27   30   45  108                                       
CONECT   45   44   46  109  110                                       
CONECT   46   28   45   49   48                                       
CONECT   47   28  111  112  113                                       
CONECT   48   46  114  115  116                                       
CONECT   49   29   46   50  117                                       
CONECT   50   30   49   51  118                                       
CONECT   51   50  119  120  121                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   26                                                      
CONECT   86   29                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   48                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
