COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.468  -0.687 -14.430  1.00  0.00           C  
HETATM    2  C   UNL     1       0.075   0.570 -14.212  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.647   1.700 -14.542  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.914   1.579 -15.082  1.00  0.00           C  
HETATM    5  O   UNL     1       0.241  -1.800 -14.107  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.460   0.327 -15.295  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.741  -0.806 -14.967  1.00  0.00           C  
HETATM    8  C   UNL     1       1.456   0.703 -13.623  1.00  0.00           C  
HETATM    9  C   UNL     1       1.357   0.770 -12.121  1.00  0.00           C  
HETATM   10  C   UNL     1       2.043  -0.065 -11.382  1.00  0.00           C  
HETATM   11  C   UNL     1       3.019  -1.015 -12.026  1.00  0.00           C  
HETATM   12  C   UNL     1       1.855  -0.077  -9.886  1.00  0.00           C  
HETATM   13  C   UNL     1       0.744  -1.063  -9.520  1.00  0.00           C  
HETATM   14  C   UNL     1       0.556  -1.075  -8.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.623  -0.831  -7.510  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.817  -0.660  -8.413  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.786  -0.721  -6.016  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.581   0.732  -5.586  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.744   0.841  -4.092  1.00  0.00           C  
HETATM   20  C   UNL     1       0.207   1.373  -3.366  1.00  0.00           C  
HETATM   21  C   UNL     1       1.410   1.987  -4.035  1.00  0.00           C  
HETATM   22  C   UNL     1       0.099   1.372  -1.863  1.00  0.00           C  
HETATM   23  C   UNL     1       0.738   0.098  -1.307  1.00  0.00           C  
HETATM   24  C   UNL     1       0.630   0.097   0.195  1.00  0.00           C  
HETATM   25  C   UNL     1       0.055  -0.906   0.810  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.606  -1.999   0.011  1.00  0.00           C  
HETATM   27  C   UNL     1       0.054  -0.967   2.316  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.189  -0.257   2.854  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.189  -0.318   4.360  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.263   0.785   5.060  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.461   2.107   4.364  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.151   0.734   6.562  1.00  0.00           C  
HETATM   33  C   UNL     1       0.316   0.878   6.969  1.00  0.00           C  
HETATM   34  C   UNL     1       0.429   0.826   8.471  1.00  0.00           C  
HETATM   35  C   UNL     1       1.227  -0.043   9.039  1.00  0.00           C  
HETATM   36  C   UNL     1       2.116  -0.916   8.191  1.00  0.00           C  
HETATM   37  C   UNL     1       1.255  -0.172  10.540  1.00  0.00           C  
HETATM   38  C   UNL     1       0.224  -1.212  10.982  1.00  0.00           C  
HETATM   39  C   UNL     1       0.252  -1.340  12.484  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.848  -1.185  13.175  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.800  -1.192  14.681  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.165  -1.000  12.465  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.582   0.234  15.191  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.533   0.227  16.697  1.00  0.00           C  
HETATM   45  C   UNL     1       0.494   0.745  17.321  1.00  0.00           C  
HETATM   46  C   UNL     1       0.602   0.630  18.820  1.00  0.00           C  
HETATM   47  C   UNL     1       1.570   1.456  16.541  1.00  0.00           C  
HETATM   48  H   UNL     1      -0.222   2.679 -14.377  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.478   2.464 -15.338  1.00  0.00           H  
HETATM   50  H   UNL     1       0.748  -2.046 -14.893  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.450   0.234 -15.717  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.169  -1.784 -15.133  1.00  0.00           H  
HETATM   53  H   UNL     1       1.924   1.613 -13.998  1.00  0.00           H  
HETATM   54  H   UNL     1       2.058  -0.159 -13.910  1.00  0.00           H  
HETATM   55  H   UNL     1       0.721   1.507 -11.654  1.00  0.00           H  
HETATM   56  H   UNL     1       3.729  -0.451 -12.631  1.00  0.00           H  
HETATM   57  H   UNL     1       3.556  -1.564 -11.253  1.00  0.00           H  
HETATM   58  H   UNL     1       2.478  -1.717 -12.661  1.00  0.00           H  
HETATM   59  H   UNL     1       1.581   0.921  -9.547  1.00  0.00           H  
HETATM   60  H   UNL     1       2.785  -0.382  -9.406  1.00  0.00           H  
HETATM   61  H   UNL     1       1.018  -2.062  -9.859  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.185  -0.758 -10.000  1.00  0.00           H  
HETATM   63  H   UNL     1       1.395  -1.284  -7.376  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.914  -1.534  -9.057  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.717  -0.552  -7.808  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.684   0.229  -9.028  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.048  -1.354  -5.523  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.788  -1.046  -5.735  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.319   1.364  -6.079  1.00  0.00           H  
HETATM   70  H   UNL     1       0.420   1.056  -5.867  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.646   0.481  -3.619  1.00  0.00           H  
HETATM   72  H   UNL     1       1.083   2.739  -4.752  1.00  0.00           H  
HETATM   73  H   UNL     1       2.045   2.454  -3.282  1.00  0.00           H  
HETATM   74  H   UNL     1       1.973   1.210  -4.554  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.950   1.408  -1.574  1.00  0.00           H  
HETATM   76  H   UNL     1       0.616   2.243  -1.461  1.00  0.00           H  
HETATM   77  H   UNL     1       1.789   0.062  -1.596  1.00  0.00           H  
HETATM   78  H   UNL     1       0.221  -0.772  -1.709  1.00  0.00           H  
HETATM   79  H   UNL     1       1.027   0.923   0.766  1.00  0.00           H  
HETATM   80  H   UNL     1       0.147  -2.532  -0.568  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.102  -2.695   0.688  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.342  -1.562  -0.663  1.00  0.00           H  
HETATM   83  H   UNL     1       0.948  -0.476   2.699  1.00  0.00           H  
HETATM   84  H   UNL     1       0.046  -2.009   2.637  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.083  -0.749   2.470  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.180   0.784   2.533  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.128  -1.273   4.862  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.432   2.115   3.869  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.420   2.913   5.097  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.674   2.249   3.623  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.536  -0.218   6.923  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.730   1.549   6.998  1.00  0.00           H  
HETATM   93  H   UNL     1       0.702   1.831   6.608  1.00  0.00           H  
HETATM   94  H   UNL     1       0.895   0.063   6.533  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.147   1.507   9.079  1.00  0.00           H  
HETATM   96  H   UNL     1       2.835  -0.293   7.659  1.00  0.00           H  
HETATM   97  H   UNL     1       2.647  -1.622   8.829  1.00  0.00           H  
HETATM   98  H   UNL     1       1.507  -1.463   7.471  1.00  0.00           H  
HETATM   99  H   UNL     1       1.017   0.790  10.992  1.00  0.00           H  
HETATM  100  H   UNL     1       2.249  -0.487  10.859  1.00  0.00           H  
HETATM  101  H   UNL     1       0.462  -2.175  10.531  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.769  -0.897  10.663  1.00  0.00           H  
HETATM  103  H   UNL     1       1.181  -1.561  12.989  1.00  0.00           H  
HETATM  104  H   UNL     1       0.020  -1.826  15.016  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.740  -1.578  15.074  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.324  -1.828  11.773  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.972  -0.978  13.196  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.150  -0.062  11.911  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.403   0.868  14.857  1.00  0.00           H  
HETATM  110  H   UNL     1       0.358   0.620  14.798  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.346  -0.204  17.262  1.00  0.00           H  
HETATM  112  H   UNL     1       1.518   1.117  19.157  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.257   1.113  19.284  1.00  0.00           H  
HETATM  114  H   UNL     1       0.625  -0.421  19.103  1.00  0.00           H  
HETATM  115  H   UNL     1       1.119   2.244  15.937  1.00  0.00           H  
HETATM  116  H   UNL     1       2.290   1.895  17.231  1.00  0.00           H  
HETATM  117  H   UNL     1       2.077   0.745  15.889  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    6   49                                       
CONECT    5    1   50                                                 
CONECT    6    4    7    7   51                                       
CONECT    7    1    6    6   52                                       
CONECT    8    2    9   53   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   56   57   58                                       
CONECT   12   10   13   59   60                                       
CONECT   13   12   14   61   62                                       
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   64   65   66                                       
CONECT   17   15   18   67   68                                       
CONECT   18   17   19   69   70                                       
CONECT   19   18   20   20   71                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   72   73   74                                       
CONECT   22   20   23   75   76                                       
CONECT   23   22   24   77   78                                       
CONECT   24   23   25   25   79                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   80   81   82                                       
CONECT   27   25   28   83   84                                       
CONECT   28   27   29   85   86                                       
CONECT   29   28   30   30   87                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   88   89   90                                       
CONECT   32   30   33   91   92                                       
CONECT   33   32   34   93   94                                       
CONECT   34   33   35   35   95                                       
CONECT   35   34   34   36   37                                       
CONECT   36   35   96   97   98                                       
CONECT   37   35   38   99  100                                       
CONECT   38   37   39  101  102                                       
CONECT   39   38   40   40  103                                       
CONECT   40   39   39   41   42                                       
CONECT   41   40   43  104  105                                       
CONECT   42   40  106  107  108                                       
CONECT   43   41   44  109  110                                       
CONECT   44   43   45   45  111                                       
CONECT   45   44   44   46   47                                       
CONECT   46   45  112  113  114                                       
CONECT   47   45  115  116  117                                       
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
