COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -15.604 -47.785  32.616  1.00  0.00           C  
HETATM    2  C   UNL     1     -16.458 -48.928  32.711  1.00  0.00           C  
HETATM    3  C   UNL     1     -16.676 -49.736  31.488  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.055 -49.359  30.271  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.225 -48.203  30.261  1.00  0.00           C  
HETATM    6  C   UNL     1     -17.081 -49.241  34.042  1.00  0.00           C  
HETATM    7  C   UNL     1     -18.562 -49.155  34.284  1.00  0.00           C  
HETATM    8  C   UNL     1     -25.599 -42.254  30.056  1.00  0.00           C  
HETATM    9  C   UNL     1     -25.351 -40.949  29.294  1.00  0.00           C  
HETATM   10  C   UNL     1     -22.536 -38.675  28.701  1.00  0.00           C  
HETATM   11  C   UNL     1     -22.063 -37.393  28.037  1.00  0.00           C  
HETATM   12  O   UNL     1     -17.468 -50.845  31.504  1.00  0.00           O  
HETATM   13  O   UNL     1     -16.322 -49.563  34.945  1.00  0.00           O  
HETATM   14  C   UNL     1     -19.396 -48.777  33.254  1.00  0.00           C  
HETATM   15  C   UNL     1     -20.839 -48.622  33.250  1.00  0.00           C  
HETATM   16  C   UNL     1     -21.360 -47.848  32.285  1.00  0.00           C  
HETATM   17  C   UNL     1     -22.801 -47.610  32.209  1.00  0.00           C  
HETATM   18  C   UNL     1     -23.301 -46.824  31.250  1.00  0.00           C  
HETATM   19  C   UNL     1     -24.795 -46.534  31.166  1.00  0.00           C  
HETATM   20  C   UNL     1     -25.565 -47.316  30.090  1.00  0.00           C  
HETATM   21  C   UNL     1     -26.494 -46.222  29.591  1.00  0.00           C  
HETATM   22  C   UNL     1     -25.957 -44.860  30.208  1.00  0.00           C  
HETATM   23  C   UNL     1     -25.621 -43.637  29.197  1.00  0.00           C  
HETATM   24  C   UNL     1     -24.116 -40.388  29.325  1.00  0.00           C  
HETATM   25  C   UNL     1     -23.788 -39.134  28.631  1.00  0.00           C  
HETATM   26  O   UNL     1     -24.714 -47.701  29.026  1.00  0.00           O  
HETATM   27  N   UNL     1     -15.022 -47.465  31.397  1.00  0.00           N  
HETATM   28  O   UNL     1     -15.396 -47.083  33.665  1.00  0.00           O  
HETATM   29  C   UNL     1     -19.057 -49.492  35.669  1.00  0.00           C  
HETATM   30  O   UNL     1     -26.566 -46.194  28.130  1.00  0.00           O  
HETATM   31  O   UNL     1     -24.968 -45.110  30.857  1.00  0.00           O  
HETATM   32  C   UNL     1     -24.234 -43.872  28.495  1.00  0.00           C  
HETATM   33  O   UNL     1     -26.863 -42.043  30.723  1.00  0.00           O  
HETATM   34  C   UNL     1     -26.673 -41.677  32.118  1.00  0.00           C  
HETATM   35  C   UNL     1     -26.512 -40.299  28.525  1.00  0.00           C  
HETATM   36  N   UNL     1     -22.640 -37.126  26.731  1.00  0.00           N  
HETATM   37  C   UNL     1     -23.622 -36.135  26.548  1.00  0.00           C  
HETATM   38  O   UNL     1     -24.048 -35.451  27.496  1.00  0.00           O  
HETATM   39  C   UNL     1     -25.694 -35.618  25.208  1.00  0.00           C  
HETATM   40  C   UNL     1     -26.415 -36.901  25.302  1.00  0.00           C  
HETATM   41  C   UNL     1     -24.165 -35.917  25.181  1.00  0.00           C  
HETATM   42  C   UNL     1     -23.314 -34.741  24.440  1.00  0.00           C  
HETATM   43  O   UNL     1     -23.417 -33.555  25.267  1.00  0.00           O  
HETATM   44  C   UNL     1     -23.839 -34.394  23.017  1.00  0.00           C  
HETATM   45  O   UNL     1     -23.840 -35.336  22.327  1.00  0.00           O  
HETATM   46  C   UNL     1     -22.884 -33.298  22.438  1.00  0.00           C  
HETATM   47  O   UNL     1     -23.252 -32.872  21.134  1.00  0.00           O  
HETATM   48  C   UNL     1     -21.389 -33.797  22.399  1.00  0.00           C  
HETATM   49  C   UNL     1     -21.219 -34.981  21.424  1.00  0.00           C  
HETATM   50  C   UNL     1     -20.438 -32.745  21.835  1.00  0.00           C  
HETATM   51  C   UNL     1     -21.057 -34.220  23.881  1.00  0.00           C  
HETATM   52  O   UNL     1     -21.864 -35.042  24.418  1.00  0.00           O  
HETATM   53  C   UNL     1     -19.644 -34.786  24.066  1.00  0.00           C  
HETATM   54  C   UNL     1     -19.332 -35.950  24.704  1.00  0.00           C  
HETATM   55  C   UNL     1     -17.984 -36.419  24.833  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.686 -37.585  25.477  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.740 -38.505  26.129  1.00  0.00           C  
HETATM   58  H   UNL     1     -16.214 -49.951  29.354  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.721 -47.867  29.339  1.00  0.00           H  
HETATM   60  H   UNL     1     -24.729 -42.432  30.731  1.00  0.00           H  
HETATM   61  H   UNL     1     -21.900 -39.347  29.301  1.00  0.00           H  
HETATM   62  H   UNL     1     -20.950 -37.381  27.975  1.00  0.00           H  
HETATM   63  H   UNL     1     -22.230 -36.524  28.716  1.00  0.00           H  
HETATM   64  H   UNL     1     -17.608 -51.363  30.720  1.00  0.00           H  
HETATM   65  H   UNL     1     -18.843 -48.574  32.322  1.00  0.00           H  
HETATM   66  H   UNL     1     -21.531 -49.087  33.972  1.00  0.00           H  
HETATM   67  H   UNL     1     -20.628 -47.422  31.578  1.00  0.00           H  
HETATM   68  H   UNL     1     -23.541 -48.041  32.904  1.00  0.00           H  
HETATM   69  H   UNL     1     -22.526 -46.437  30.568  1.00  0.00           H  
HETATM   70  H   UNL     1     -25.211 -46.847  32.152  1.00  0.00           H  
HETATM   71  H   UNL     1     -26.045 -48.251  30.461  1.00  0.00           H  
HETATM   72  H   UNL     1     -27.544 -46.404  29.920  1.00  0.00           H  
HETATM   73  H   UNL     1     -26.817 -44.472  30.802  1.00  0.00           H  
HETATM   74  H   UNL     1     -26.399 -43.576  28.401  1.00  0.00           H  
HETATM   75  H   UNL     1     -23.376 -40.953  29.916  1.00  0.00           H  
HETATM   76  H   UNL     1     -24.496 -38.524  28.045  1.00  0.00           H  
HETATM   77  H   UNL     1     -25.190 -48.184  28.361  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.415 -46.647  31.333  1.00  0.00           H  
HETATM   79  H   UNL     1     -18.522 -48.861  36.417  1.00  0.00           H  
HETATM   80  H   UNL     1     -20.156 -49.428  35.849  1.00  0.00           H  
HETATM   81  H   UNL     1     -18.693 -50.506  35.955  1.00  0.00           H  
HETATM   82  H   UNL     1     -27.147 -45.510  27.818  1.00  0.00           H  
HETATM   83  H   UNL     1     -23.391 -43.851  29.225  1.00  0.00           H  
HETATM   84  H   UNL     1     -24.249 -44.819  27.907  1.00  0.00           H  
HETATM   85  H   UNL     1     -23.933 -43.000  27.869  1.00  0.00           H  
HETATM   86  H   UNL     1     -26.004 -40.791  32.220  1.00  0.00           H  
HETATM   87  H   UNL     1     -27.649 -41.514  32.633  1.00  0.00           H  
HETATM   88  H   UNL     1     -26.048 -42.427  32.656  1.00  0.00           H  
HETATM   89  H   UNL     1     -27.366 -40.147  29.226  1.00  0.00           H  
HETATM   90  H   UNL     1     -26.331 -39.349  27.970  1.00  0.00           H  
HETATM   91  H   UNL     1     -26.939 -41.050  27.820  1.00  0.00           H  
HETATM   92  H   UNL     1     -22.344 -37.655  25.911  1.00  0.00           H  
HETATM   93  H   UNL     1     -25.978 -34.906  26.017  1.00  0.00           H  
HETATM   94  H   UNL     1     -26.026 -35.001  24.341  1.00  0.00           H  
HETATM   95  H   UNL     1     -26.083 -37.518  26.170  1.00  0.00           H  
HETATM   96  H   UNL     1     -27.509 -36.687  25.321  1.00  0.00           H  
HETATM   97  H   UNL     1     -26.131 -37.613  24.493  1.00  0.00           H  
HETATM   98  H   UNL     1     -24.050 -36.856  24.591  1.00  0.00           H  
HETATM   99  H   UNL     1     -22.921 -32.869  24.835  1.00  0.00           H  
HETATM  100  H   UNL     1     -24.891 -34.028  23.069  1.00  0.00           H  
HETATM  101  H   UNL     1     -24.160 -35.124  21.458  1.00  0.00           H  
HETATM  102  H   UNL     1     -22.979 -32.430  23.131  1.00  0.00           H  
HETATM  103  H   UNL     1     -22.672 -32.207  20.783  1.00  0.00           H  
HETATM  104  H   UNL     1     -21.593 -34.729  20.404  1.00  0.00           H  
HETATM  105  H   UNL     1     -20.162 -35.334  21.396  1.00  0.00           H  
HETATM  106  H   UNL     1     -21.922 -35.813  21.663  1.00  0.00           H  
HETATM  107  H   UNL     1     -20.526 -31.784  22.393  1.00  0.00           H  
HETATM  108  H   UNL     1     -19.381 -33.098  21.807  1.00  0.00           H  
HETATM  109  H   UNL     1     -20.772 -32.399  20.829  1.00  0.00           H  
HETATM  110  H   UNL     1     -21.157 -33.239  24.402  1.00  0.00           H  
HETATM  111  H   UNL     1     -18.732 -34.291  23.691  1.00  0.00           H  
HETATM  112  H   UNL     1     -20.180 -36.519  25.121  1.00  0.00           H  
HETATM  113  H   UNL     1     -17.133 -35.854  24.416  1.00  0.00           H  
HETATM  114  H   UNL     1     -16.601 -37.782  25.471  1.00  0.00           H  
HETATM  115  H   UNL     1     -19.493 -38.748  25.343  1.00  0.00           H  
HETATM  116  H   UNL     1     -18.497 -39.457  26.655  1.00  0.00           H  
HETATM  117  H   UNL     1     -19.325 -37.878  26.841  1.00  0.00           H  
CONECT    1    2   27   28   28                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   12                                       
CONECT    4    3    5    5   58                                       
CONECT    5    4    4   27   59                                       
CONECT    6    2    7   13   13                                       
CONECT    7    6   14   14   29                                       
CONECT    8    9   23   33   60                                       
CONECT    9    8   24   24   35                                       
CONECT   10   11   25   25   61                                       
CONECT   11   10   36   62   63                                       
CONECT   12    3   64                                                 
CONECT   13    6    6                                                 
CONECT   14    7    7   15   65                                       
CONECT   15   14   16   16   66                                       
CONECT   16   15   15   17   67                                       
CONECT   17   16   18   18   68                                       
CONECT   18   17   17   19   69                                       
CONECT   19   18   20   31   70                                       
CONECT   20   19   21   26   71                                       
CONECT   21   20   22   30   72                                       
CONECT   22   21   23   31   73                                       
CONECT   23    8   22   32   74                                       
CONECT   24    9    9   25   75                                       
CONECT   25   10   10   24   76                                       
CONECT   26   20   77                                                 
CONECT   27    1    5   78                                            
CONECT   28    1    1                                                 
CONECT   29    7   79   80   81                                       
CONECT   30   21   82                                                 
CONECT   31   19   22                                                 
CONECT   32   23   83   84   85                                       
CONECT   33    8   34                                                 
CONECT   34   33   86   87   88                                       
CONECT   35    9   89   90   91                                       
CONECT   36   11   37   92                                            
CONECT   37   36   38   38   41                                       
CONECT   38   37   37                                                 
CONECT   39   40   41   93   94                                       
CONECT   40   39   95   96   97                                       
CONECT   41   37   39   42   98                                       
CONECT   42   41   43   44   52                                       
CONECT   43   42   99                                                 
CONECT   44   42   45   46  100                                       
CONECT   45   44  101                                                 
CONECT   46   44   47   48  102                                       
CONECT   47   46  103                                                 
CONECT   48   46   49   50   51                                       
CONECT   49   48  104  105  106                                       
CONECT   50   48  107  108  109                                       
CONECT   51   48   52   53  110                                       
CONECT   52   42   51                                                 
CONECT   53   51   54   54  111                                       
CONECT   54   53   53   55  112                                       
CONECT   55   54   56   56  113                                       
CONECT   56   55   55   57  114                                       
CONECT   57   56  115  116  117                                       
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   57                                                      
CONECT  116   57                                                      
CONECT  117   57                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
