COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.348  20.178  -3.218  1.00  0.00           C  
HETATM    2  O   UNL     1       4.706  19.782  -1.901  1.00  0.00           O  
HETATM    3  C   UNL     1       3.116  19.405  -3.673  1.00  0.00           C  
HETATM    4  O   UNL     1       2.048  19.662  -2.759  1.00  0.00           O  
HETATM    5  C   UNL     1       3.374  17.903  -3.684  1.00  0.00           C  
HETATM    6  O   UNL     1       2.185  17.234  -4.089  1.00  0.00           O  
HETATM    7  C   UNL     1       5.880  20.451  -1.456  1.00  0.00           C  
HETATM    8  C   UNL     1       6.204  19.981  -0.042  1.00  0.00           C  
HETATM    9  C   UNL     1       7.477  20.622   0.540  1.00  0.00           C  
HETATM   10  C   UNL     1       7.791  20.102   1.945  1.00  0.00           C  
HETATM   11  C   UNL     1       7.404  22.165   0.511  1.00  0.00           C  
HETATM   12  C   UNL     1       6.299  22.785   1.375  1.00  0.00           C  
HETATM   13  C   UNL     1       6.281  24.313   1.229  1.00  0.00           C  
HETATM   14  C   UNL     1       5.238  25.010   2.127  1.00  0.00           C  
HETATM   15  C   UNL     1       3.807  24.590   1.770  1.00  0.00           C  
HETATM   16  C   UNL     1       5.341  26.549   2.033  1.00  0.00           C  
HETATM   17  C   UNL     1       6.729  27.152   2.287  1.00  0.00           C  
HETATM   18  C   UNL     1       7.301  26.936   3.692  1.00  0.00           C  
HETATM   19  C   UNL     1       8.725  27.480   3.925  1.00  0.00           C  
HETATM   20  C   UNL     1       8.727  29.004   3.756  1.00  0.00           C  
HETATM   21  C   UNL     1       9.808  26.814   3.051  1.00  0.00           C  
HETATM   22  C   UNL     1       9.849  25.283   3.111  1.00  0.00           C  
HETATM   23  C   UNL     1      10.167  24.799   4.530  1.00  0.00           C  
HETATM   24  C   UNL     1      10.198  23.265   4.664  1.00  0.00           C  
HETATM   25  C   UNL     1       8.842  22.682   4.257  1.00  0.00           C  
HETATM   26  C   UNL     1      11.305  22.626   3.824  1.00  0.00           C  
HETATM   27  C   UNL     1       1.734  21.045  -2.714  1.00  0.00           C  
HETATM   28  C   UNL     1       0.592  21.254  -1.725  1.00  0.00           C  
HETATM   29  C   UNL     1       0.177  22.728  -1.571  1.00  0.00           C  
HETATM   30  C   UNL     1       1.341  23.607  -1.107  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.052  22.882  -0.649  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.839  22.449   0.807  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.133  22.592   1.618  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.973  22.240   3.111  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.574  20.772   3.311  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.270  22.513   3.906  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.178  22.355   5.428  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.112  23.211   6.123  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.222  24.732   5.894  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.053  25.442   6.586  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.577  25.339   6.312  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.813  24.658   5.711  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.102  25.306   6.231  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.382  24.683   5.644  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.369  24.812   4.119  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.551  23.214   6.035  1.00  0.00           C  
HETATM   47  H   UNL     1       4.166  21.257  -3.209  1.00  0.00           H  
HETATM   48  H   UNL     1       5.207  19.970  -3.864  1.00  0.00           H  
HETATM   49  H   UNL     1       2.777  19.745  -4.658  1.00  0.00           H  
HETATM   50  H   UNL     1       3.641  17.540  -2.687  1.00  0.00           H  
HETATM   51  H   UNL     1       4.167  17.645  -4.393  1.00  0.00           H  
HETATM   52  H   UNL     1       1.834  16.789  -3.302  1.00  0.00           H  
HETATM   53  H   UNL     1       6.689  20.215  -2.152  1.00  0.00           H  
HETATM   54  H   UNL     1       5.692  21.529  -1.475  1.00  0.00           H  
HETATM   55  H   UNL     1       5.347  20.208   0.605  1.00  0.00           H  
HETATM   56  H   UNL     1       6.287  18.887  -0.047  1.00  0.00           H  
HETATM   57  H   UNL     1       8.320  20.342  -0.107  1.00  0.00           H  
HETATM   58  H   UNL     1       8.637  20.643   2.381  1.00  0.00           H  
HETATM   59  H   UNL     1       6.934  20.210   2.617  1.00  0.00           H  
HETATM   60  H   UNL     1       8.064  19.042   1.919  1.00  0.00           H  
HETATM   61  H   UNL     1       8.374  22.565   0.831  1.00  0.00           H  
HETATM   62  H   UNL     1       7.268  22.490  -0.529  1.00  0.00           H  
HETATM   63  H   UNL     1       6.455  22.528   2.428  1.00  0.00           H  
HETATM   64  H   UNL     1       5.330  22.377   1.072  1.00  0.00           H  
HETATM   65  H   UNL     1       6.099  24.575   0.179  1.00  0.00           H  
HETATM   66  H   UNL     1       7.280  24.687   1.478  1.00  0.00           H  
HETATM   67  H   UNL     1       5.414  24.708   3.166  1.00  0.00           H  
HETATM   68  H   UNL     1       3.590  24.777   0.713  1.00  0.00           H  
HETATM   69  H   UNL     1       3.640  23.527   1.971  1.00  0.00           H  
HETATM   70  H   UNL     1       3.077  25.146   2.369  1.00  0.00           H  
HETATM   71  H   UNL     1       4.630  26.999   2.737  1.00  0.00           H  
HETATM   72  H   UNL     1       5.013  26.869   1.035  1.00  0.00           H  
HETATM   73  H   UNL     1       7.440  26.748   1.557  1.00  0.00           H  
HETATM   74  H   UNL     1       6.681  28.227   2.075  1.00  0.00           H  
HETATM   75  H   UNL     1       6.623  27.390   4.425  1.00  0.00           H  
HETATM   76  H   UNL     1       7.279  25.860   3.908  1.00  0.00           H  
HETATM   77  H   UNL     1       8.998  27.286   4.971  1.00  0.00           H  
HETATM   78  H   UNL     1       9.694  29.421   4.056  1.00  0.00           H  
HETATM   79  H   UNL     1       8.546  29.299   2.718  1.00  0.00           H  
HETATM   80  H   UNL     1       7.958  29.467   4.383  1.00  0.00           H  
HETATM   81  H   UNL     1      10.788  27.207   3.352  1.00  0.00           H  
HETATM   82  H   UNL     1       9.672  27.128   2.009  1.00  0.00           H  
HETATM   83  H   UNL     1       8.883  24.879   2.793  1.00  0.00           H  
HETATM   84  H   UNL     1      10.610  24.899   2.424  1.00  0.00           H  
HETATM   85  H   UNL     1      11.147  25.197   4.826  1.00  0.00           H  
HETATM   86  H   UNL     1       9.434  25.218   5.231  1.00  0.00           H  
HETATM   87  H   UNL     1      10.372  23.006   5.716  1.00  0.00           H  
HETATM   88  H   UNL     1       8.831  21.594   4.384  1.00  0.00           H  
HETATM   89  H   UNL     1       8.039  23.096   4.876  1.00  0.00           H  
HETATM   90  H   UNL     1       8.612  22.904   3.209  1.00  0.00           H  
HETATM   91  H   UNL     1      11.256  21.533   3.883  1.00  0.00           H  
HETATM   92  H   UNL     1      11.219  22.911   2.770  1.00  0.00           H  
HETATM   93  H   UNL     1      12.297  22.924   4.179  1.00  0.00           H  
HETATM   94  H   UNL     1       2.632  21.587  -2.407  1.00  0.00           H  
HETATM   95  H   UNL     1       1.444  21.367  -3.719  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.270  20.660  -2.058  1.00  0.00           H  
HETATM   97  H   UNL     1       0.884  20.829  -0.756  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.133  23.094  -2.560  1.00  0.00           H  
HETATM   99  H   UNL     1       1.002  24.628  -0.906  1.00  0.00           H  
HETATM  100  H   UNL     1       1.805  23.215  -0.196  1.00  0.00           H  
HETATM  101  H   UNL     1       2.117  23.669  -1.876  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.370  23.933  -0.665  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.885  22.306  -1.074  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.056  23.059   1.270  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.505  21.407   0.830  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.912  21.961   1.171  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.476  23.629   1.526  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.167  22.854   3.530  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.291  20.097   2.832  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.582  20.568   2.897  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.532  20.521   4.376  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.063  21.853   3.533  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.610  23.536   3.693  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.152  22.583   5.877  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.999  21.297   5.655  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.144  23.010   7.201  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.125  22.860   5.795  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.106  24.924   4.820  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.036  26.503   6.317  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.126  25.378   7.677  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.095  25.007   6.281  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.586  26.400   6.030  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.656  25.323   7.406  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.778  24.735   4.620  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.820  23.594   5.968  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.130  25.204   7.324  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.081  26.382   6.016  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.250  25.240   6.020  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.291  24.409   3.685  1.00  0.00           H  
HETATM  130  H   UNL     1      -7.291  25.861   3.817  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.524  24.269   3.681  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.430  22.780   5.546  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.677  22.623   5.745  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.696  23.103   7.114  1.00  0.00           H  
CONECT    1    2    3   47   48                                       
CONECT    2    1    7                                                 
CONECT    3    1    4    5   49                                       
CONECT    4    3   27                                                 
CONECT    5    3    6   50   51                                       
CONECT    6    5   52                                                 
CONECT    7    2    8   53   54                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   11   57                                       
CONECT   10    9   58   59   60                                       
CONECT   11    9   12   61   62                                       
CONECT   12   11   13   63   64                                       
CONECT   13   12   14   65   66                                       
CONECT   14   13   15   16   67                                       
CONECT   15   14   68   69   70                                       
CONECT   16   14   17   71   72                                       
CONECT   17   16   18   73   74                                       
CONECT   18   17   19   75   76                                       
CONECT   19   18   20   21   77                                       
CONECT   20   19   78   79   80                                       
CONECT   21   19   22   81   82                                       
CONECT   22   21   23   83   84                                       
CONECT   23   22   24   85   86                                       
CONECT   24   23   25   26   87                                       
CONECT   25   24   88   89   90                                       
CONECT   26   24   91   92   93                                       
CONECT   27    4   28   94   95                                       
CONECT   28   27   29   96   97                                       
CONECT   29   28   30   31   98                                       
CONECT   30   29   99  100  101                                       
CONECT   31   29   32  102  103                                       
CONECT   32   31   33  104  105                                       
CONECT   33   32   34  106  107                                       
CONECT   34   33   35   36  108                                       
CONECT   35   34  109  110  111                                       
CONECT   36   34   37  112  113                                       
CONECT   37   36   38  114  115                                       
CONECT   38   37   39  116  117                                       
CONECT   39   38   40   41  118                                       
CONECT   40   39  119  120  121                                       
CONECT   41   39   42  122  123                                       
CONECT   42   41   43  124  125                                       
CONECT   43   42   44  126  127                                       
CONECT   44   43   45   46  128                                       
CONECT   45   44  129  130  131                                       
CONECT   46   44  132  133  134                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   35                                                      
CONECT  111   35                                                      
CONECT  112   36                                                      
CONECT  113   36                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   40                                                      
CONECT  122   41                                                      
CONECT  123   41                                                      
CONECT  124   42                                                      
CONECT  125   42                                                      
CONECT  126   43                                                      
CONECT  127   43                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   45                                                      
CONECT  131   45                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   46                                                      
MASTER        0    0    0    0    0    0    0    0  134    0  134    0
END
