COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      18.893   6.777  -1.154  1.00  0.00           C  
HETATM    2  C   UNL     1      17.973   6.058  -0.165  1.00  0.00           C  
HETATM    3  C   UNL     1      16.735   5.543  -0.902  1.00  0.00           C  
HETATM    4  C   UNL     1      15.815   4.825   0.087  1.00  0.00           C  
HETATM    5  C   UNL     1      14.577   4.310  -0.650  1.00  0.00           C  
HETATM    6  C   UNL     1      13.656   3.592   0.339  1.00  0.00           C  
HETATM    7  C   UNL     1      12.418   3.076  -0.398  1.00  0.00           C  
HETATM    8  C   UNL     1      11.498   2.358   0.591  1.00  0.00           C  
HETATM    9  C   UNL     1      10.260   1.843  -0.146  1.00  0.00           C  
HETATM   10  C   UNL     1       9.340   1.125   0.843  1.00  0.00           C  
HETATM   11  C   UNL     1       8.102   0.610   0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       7.182  -0.109   1.095  1.00  0.00           C  
HETATM   13  C   UNL     1       5.944  -0.624   0.357  1.00  0.00           C  
HETATM   14  C   UNL     1       5.024  -1.342   1.347  1.00  0.00           C  
HETATM   15  C   UNL     1       3.786  -1.857   0.609  1.00  0.00           C  
HETATM   16  C   UNL     1       2.879  -2.565   1.584  1.00  0.00           C  
HETATM   17  O   UNL     1       3.191  -2.648   2.748  1.00  0.00           O  
HETATM   18  O   UNL     1       1.725  -3.102   1.158  1.00  0.00           O  
HETATM   19  C   UNL     1       0.902  -3.768   2.151  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.362  -4.313   1.484  1.00  0.00           C  
HETATM   21  C   UNL     1       0.028  -5.214   0.311  1.00  0.00           C  
HETATM   22  O   UNL     1       0.878  -4.493  -0.582  1.00  0.00           O  
HETATM   23  P   UNL     1       1.482  -5.135  -1.930  1.00  0.00           P  
HETATM   24  O   UNL     1       2.282  -4.005  -2.752  1.00  0.00           O  
HETATM   25  O   UNL     1       2.487  -6.334  -1.550  1.00  0.00           O  
HETATM   26  O   UNL     1       0.377  -5.662  -2.763  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.167  -3.207   0.997  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.496  -3.391   0.960  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.971  -4.440   1.323  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.396  -2.287   0.467  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.853  -2.751   0.527  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.766  -1.631   0.026  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.223  -2.095   0.086  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.137  -0.975  -0.415  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.593  -1.439  -0.354  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.507  -0.319  -0.855  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.941  -0.776  -0.796  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.838  -0.043  -0.183  1.00  0.00           C  
HETATM   39  C   UNL     1     -12.474   1.333   0.313  1.00  0.00           C  
HETATM   40  C   UNL     1     -13.471   2.354  -0.239  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.102   3.751   0.265  1.00  0.00           C  
HETATM   42  C   UNL     1     -14.099   4.772  -0.287  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.730   6.169   0.217  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.727   7.190  -0.335  1.00  0.00           C  
HETATM   45  C   UNL     1     -14.358   8.586   0.169  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.355   9.608  -0.383  1.00  0.00           C  
HETATM   47  H   UNL     1      19.199   6.082  -1.936  1.00  0.00           H  
HETATM   48  H   UNL     1      18.361   7.616  -1.601  1.00  0.00           H  
HETATM   49  H   UNL     1      19.775   7.144  -0.629  1.00  0.00           H  
HETATM   50  H   UNL     1      18.505   5.219   0.282  1.00  0.00           H  
HETATM   51  H   UNL     1      17.667   6.753   0.617  1.00  0.00           H  
HETATM   52  H   UNL     1      16.203   6.383  -1.349  1.00  0.00           H  
HETATM   53  H   UNL     1      17.041   4.848  -1.684  1.00  0.00           H  
HETATM   54  H   UNL     1      16.347   3.986   0.534  1.00  0.00           H  
HETATM   55  H   UNL     1      14.045   5.149  -1.098  1.00  0.00           H  
HETATM   56  H   UNL     1      14.188   2.752   0.786  1.00  0.00           H  
HETATM   57  H   UNL     1      13.351   4.286   1.121  1.00  0.00           H  
HETATM   58  H   UNL     1      11.887   3.916  -0.846  1.00  0.00           H  
HETATM   59  H   UNL     1      12.724   2.382  -1.180  1.00  0.00           H  
HETATM   60  H   UNL     1      12.030   1.519   1.038  1.00  0.00           H  
HETATM   61  H   UNL     1      11.192   3.053   1.373  1.00  0.00           H  
HETATM   62  H   UNL     1       9.728   2.683  -0.594  1.00  0.00           H  
HETATM   63  H   UNL     1      10.566   1.148  -0.928  1.00  0.00           H  
HETATM   64  H   UNL     1       9.872   0.285   1.290  1.00  0.00           H  
HETATM   65  H   UNL     1       9.034   1.820   1.625  1.00  0.00           H  
HETATM   66  H   UNL     1       7.570   1.449  -0.342  1.00  0.00           H  
HETATM   67  H   UNL     1       8.408  -0.085  -0.677  1.00  0.00           H  
HETATM   68  H   UNL     1       7.714  -0.948   1.542  1.00  0.00           H  
HETATM   69  H   UNL     1       5.412   0.216  -0.090  1.00  0.00           H  
HETATM   70  H   UNL     1       5.556  -2.181   1.794  1.00  0.00           H  
HETATM   71  H   UNL     1       4.718  -0.647   2.129  1.00  0.00           H  
HETATM   72  H   UNL     1       3.254  -1.018   0.162  1.00  0.00           H  
HETATM   73  H   UNL     1       4.092  -2.552  -0.173  1.00  0.00           H  
HETATM   74  H   UNL     1       1.462  -4.591   2.595  1.00  0.00           H  
HETATM   75  H   UNL     1       0.625  -3.057   2.929  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.937  -4.889   2.209  1.00  0.00           H  
HETATM   77  H   UNL     1       0.557  -6.091   0.687  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.870  -5.531  -0.219  1.00  0.00           H  
HETATM   79  H   UNL     1       2.673  -4.322  -3.577  1.00  0.00           H  
HETATM   80  H   UNL     1       3.236  -6.061  -1.003  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.269  -1.406   1.096  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.136  -2.039  -0.563  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.980  -3.632  -0.102  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.113  -2.999   1.556  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.640  -0.750   0.655  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.506  -1.383  -1.003  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.350  -2.976  -0.543  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.483  -2.343   1.116  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.010  -0.094   0.214  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.877  -0.727  -1.444  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.720  -2.320  -0.983  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.853  -1.687   0.675  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.380   0.562  -0.226  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.247  -0.071  -1.885  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.231  -1.708  -1.258  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.837  -0.424  -0.034  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.506   1.346   1.403  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.439   2.341  -1.328  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.476   2.100   0.099  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.134   3.764   1.355  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.097   4.005  -0.072  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.067   4.759  -1.376  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.104   4.518   0.051  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.762   6.182   1.307  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.725   6.423  -0.120  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.695   7.176  -1.424  1.00  0.00           H  
HETATM  107  H   UNL     1     -15.732   6.936   0.002  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.390   8.600   1.258  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.353   8.841  -0.168  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.323   9.594  -1.472  1.00  0.00           H  
HETATM  111  H   UNL     1     -16.360   9.353  -0.046  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.092  10.603  -0.024  1.00  0.00           H  
HETATM  113  H   UNL     1      15.509   5.520   0.869  1.00  0.00           H  
HETATM  114  H   UNL     1      14.882   3.615  -1.432  1.00  0.00           H  
HETATM  115  H   UNL     1       6.876   0.586   1.877  1.00  0.00           H  
HETATM  116  H   UNL     1       6.250  -1.319  -0.425  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.469   1.587  -0.024  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    3    1   50   51                                       
CONECT    3    4    2   52   53                                       
CONECT    4    3    5   54  113                                       
CONECT    5    4    6   55  114                                       
CONECT    6    5    7   56   57                                       
CONECT    7    6    8   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12   11   13   68  115                                       
CONECT   13   12   14   69  116                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   74   75                                       
CONECT   20   19   27   21   76                                       
CONECT   21   20   22   77   78                                       
CONECT   22   21   23                                                 
CONECT   23   22   26   26   24                                       
CONECT   23   25                                                      
CONECT   24   23   79                                                 
CONECT   25   23   80                                                 
CONECT   26   23   23                                                 
CONECT   27   28   20                                                 
CONECT   28   30   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   81   82                                       
CONECT   31   30   32   83   84                                       
CONECT   32   31   33   85   86                                       
CONECT   33   32   34   87   88                                       
CONECT   34   33   35   89   90                                       
CONECT   35   34   36   91   92                                       
CONECT   36   35   37   93   94                                       
CONECT   37   36   38   38   95                                       
CONECT   38   37   37   39   96                                       
CONECT   39   38   40   97  117                                       
CONECT   40   39   41   98   99                                       
CONECT   41   40   42  100  101                                       
CONECT   42   41   43  102  103                                       
CONECT   43   42   44  104  105                                       
CONECT   44   43   45  106  107                                       
CONECT   45   44   46  108  109                                       
CONECT   46   45  110  111  112                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113    4                                                      
CONECT  114    5                                                      
CONECT  115   12                                                      
CONECT  116   13                                                      
CONECT  117   39                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
