COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.994   4.222  -0.216  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.510   4.427  -0.532  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.812   1.317   0.188  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.163   2.346   1.113  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.689   2.527   0.734  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.665   0.073  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.832  -1.078  -0.529  1.00  0.00           C  
HETATM    8  C   UNL     1       0.518  -1.141  -0.213  1.00  0.00           C  
HETATM    9  C   UNL     1       0.506   1.105   1.018  1.00  0.00           C  
HETATM   10  C   UNL     1       3.222   1.544   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1       2.401   0.433  -0.481  1.00  0.00           C  
HETATM   12  C   UNL     1       3.482  -0.592  -0.841  1.00  0.00           C  
HETATM   13  C   UNL     1       4.452   1.687  -0.684  1.00  0.00           C  
HETATM   14  C   UNL     1       5.987   0.945   1.165  1.00  0.00           C  
HETATM   15  C   UNL     1       7.823   1.250  -0.339  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.043   2.096  -0.214  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.134  -0.045   0.358  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.222  -0.483   1.821  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.935  -1.241   0.173  1.00  0.00           C  
HETATM   20  C   UNL     1       1.318  -0.050   0.453  1.00  0.00           C  
HETATM   21  C   UNL     1       1.204   2.449   1.270  1.00  0.00           C  
HETATM   22  C   UNL     1       2.316   2.763   0.273  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.509   1.798   0.116  1.00  0.00           C  
HETATM   24  C   UNL     1       4.657   0.296  -1.330  1.00  0.00           C  
HETATM   25  C   UNL     1       5.675   2.068   0.153  1.00  0.00           C  
HETATM   26  C   UNL     1       7.539   0.903   1.144  1.00  0.00           C  
HETATM   27  C   UNL     1       9.219   1.859  -0.485  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.404   2.802  -0.618  1.00  0.00           C  
HETATM   29  C   UNL     1       9.431   2.308  -1.932  1.00  0.00           C  
HETATM   30  C   UNL     1       9.350   3.065   0.448  1.00  0.00           C  
HETATM   31  C   UNL     1       5.409   3.378   0.897  1.00  0.00           C  
HETATM   32  C   UNL     1       1.765   0.984  -1.759  1.00  0.00           C  
HETATM   33  C   UNL     1       3.623   1.110   1.624  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.469   0.711   2.158  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.497  -3.563  -0.025  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.280  -4.550  -0.893  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.160  -5.954  -0.292  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.678  -6.325  -0.181  1.00  0.00           C  
HETATM   39  C   UNL     1       0.043  -5.269   0.660  1.00  0.00           C  
HETATM   40  C   UNL     1       1.536  -5.601   0.724  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.000   1.160   0.791  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.737   3.442   0.157  1.00  0.00           O  
HETATM   43  O   UNL     1       2.190  -4.683   1.603  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.134  -3.983   0.061  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.552  -7.604   0.444  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.827  -6.895  -1.135  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.655  -4.164  -0.934  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.773   5.170  -0.949  1.00  0.00           O  
HETATM   49  O   UNL     1      -9.768   2.579  -0.257  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.834   0.472  -0.307  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.199   1.199   0.510  1.00  0.00           O  
HETATM   52  O   UNL     1      10.203   0.882  -0.140  1.00  0.00           O  
HETATM   53  O   UNL     1       6.819   2.214  -0.697  1.00  0.00           O  
HETATM   54  O   UNL     1       4.628   0.408  -2.754  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.557  -2.261  -0.611  1.00  0.00           O  
HETATM   56  H   UNL     1      -8.161   4.362   0.852  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.350   4.328  -1.606  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.203   5.421  -0.209  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.708   1.644  -0.846  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.682   3.300   1.016  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.231   2.000   2.145  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.617   2.931  -0.275  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.212   3.210   1.437  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.603   0.344  -1.107  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.539  -2.081  -0.217  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.912  -0.968  -0.433  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.541  -0.921  -1.567  1.00  0.00           H  
HETATM   68  H   UNL     1       0.993  -2.095   0.014  1.00  0.00           H  
HETATM   69  H   UNL     1       0.571  -0.989  -1.291  1.00  0.00           H  
HETATM   70  H   UNL     1       3.773  -1.169   0.036  1.00  0.00           H  
HETATM   71  H   UNL     1       3.138  -1.250  -1.640  1.00  0.00           H  
HETATM   72  H   UNL     1       4.273   2.439  -1.452  1.00  0.00           H  
HETATM   73  H   UNL     1       5.620   1.204   2.158  1.00  0.00           H  
HETATM   74  H   UNL     1       5.566  -0.004   0.834  1.00  0.00           H  
HETATM   75  H   UNL     1       7.731   0.359  -0.960  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.878   1.967  -1.284  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.727   0.255   2.452  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.269  -0.566   2.113  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.734  -1.450   1.941  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.006  -1.511   1.227  1.00  0.00           H  
HETATM   81  H   UNL     1       1.825  -0.508   1.303  1.00  0.00           H  
HETATM   82  H   UNL     1       0.459   3.243   1.221  1.00  0.00           H  
HETATM   83  H   UNL     1       1.629   2.437   2.274  1.00  0.00           H  
HETATM   84  H   UNL     1       2.883   3.631   0.611  1.00  0.00           H  
HETATM   85  H   UNL     1       1.889   2.957  -0.711  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.666   1.887   1.191  1.00  0.00           H  
HETATM   87  H   UNL     1       5.607  -0.130  -1.008  1.00  0.00           H  
HETATM   88  H   UNL     1       7.962   1.655   1.811  1.00  0.00           H  
HETATM   89  H   UNL     1       7.909  -0.091   1.393  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.284   2.679  -1.694  1.00  0.00           H  
HETATM   91  H   UNL     1       8.680   3.054  -2.194  1.00  0.00           H  
HETATM   92  H   UNL     1      10.425   2.742  -2.036  1.00  0.00           H  
HETATM   93  H   UNL     1       9.338   1.449  -2.596  1.00  0.00           H  
HETATM   94  H   UNL     1       9.198   2.745   1.479  1.00  0.00           H  
HETATM   95  H   UNL     1      10.344   3.498   0.344  1.00  0.00           H  
HETATM   96  H   UNL     1       8.599   3.810   0.185  1.00  0.00           H  
HETATM   97  H   UNL     1       4.457   3.309   1.423  1.00  0.00           H  
HETATM   98  H   UNL     1       6.209   3.557   1.615  1.00  0.00           H  
HETATM   99  H   UNL     1       5.370   4.200   0.182  1.00  0.00           H  
HETATM  100  H   UNL     1       2.524   1.495  -2.352  1.00  0.00           H  
HETATM  101  H   UNL     1       1.344   0.162  -2.338  1.00  0.00           H  
HETATM  102  H   UNL     1       0.974   1.687  -1.498  1.00  0.00           H  
HETATM  103  H   UNL     1       2.727   0.955   2.224  1.00  0.00           H  
HETATM  104  H   UNL     1       4.190   0.180   1.570  1.00  0.00           H  
HETATM  105  H   UNL     1       4.238   1.884   2.082  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.550  -0.346   2.409  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.575   1.404   2.993  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.932  -3.532   0.974  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.872  -4.550  -1.904  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.615  -5.966   0.699  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.237  -6.362  -1.177  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.371  -5.261   1.667  1.00  0.00           H  
HETATM  113  H   UNL     1       1.666  -6.616   1.097  1.00  0.00           H  
HETATM  114  H   UNL     1       1.969  -5.521  -0.273  1.00  0.00           H  
HETATM  115  H   UNL     1       3.141  -4.834   1.692  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.990  -8.321  -0.034  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.770  -6.716  -1.255  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.818  -3.340  -1.413  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.564   6.092  -0.746  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.392   3.181  -0.686  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.301  -0.217   0.114  1.00  0.00           H  
HETATM  122  H   UNL     1      10.129   0.551   0.765  1.00  0.00           H  
HETATM  123  H   UNL     1       4.727  -0.435  -3.217  1.00  0.00           H  
CONECT    1   28    2   48   56                                       
CONECT    2   42    1   57   58                                       
CONECT    3   17   51    4   59                                       
CONECT    4    3    5   60   61                                       
CONECT    5   41    4   62   63                                       
CONECT    6   19   17   41   64                                       
CONECT    7   17   65   66   67                                       
CONECT    8   19   20   68   69                                       
CONECT    9   20   34   41   21                                       
CONECT   10   33   11   13   22                                       
CONECT   11   12   20   10   32                                       
CONECT   12   24   11   70   71                                       
CONECT   13   24   10   25   72                                       
CONECT   14   26   25   73   74                                       
CONECT   15   27   26   53   75                                       
CONECT   16   51   23   42   76                                       
CONECT   17   18    6    7    3                                       
CONECT   18   17   77   78   79                                       
CONECT   19    8   55    6   80                                       
CONECT   20    8   11    9   81                                       
CONECT   21    9   22   82   83                                       
CONECT   22   10   21   84   85                                       
CONECT   23   50   16   28   86                                       
CONECT   24   54   12   13   87                                       
CONECT   25   14   13   53   31                                       
CONECT   26   15   14   88   89                                       
CONECT   27   30   15   29   52                                       
CONECT   28   23   49    1   90                                       
CONECT   29   27   91   92   93                                       
CONECT   30   27   94   95   96                                       
CONECT   31   25   97   98   99                                       
CONECT   32   11  100  101  102                                       
CONECT   33   10  103  104  105                                       
CONECT   34    9   41  106  107                                       
CONECT   35   44   36   55  108                                       
CONECT   36   37   35   47  109                                       
CONECT   37   38   46   36  110                                       
CONECT   38   45   39   37  111                                       
CONECT   39   40   38   44  112                                       
CONECT   40   43   39  113  114                                       
CONECT   41   34    9    6    5                                       
CONECT   42   16    2                                                 
CONECT   43   40  115                                                 
CONECT   44   39   35                                                 
CONECT   45   38  116                                                 
CONECT   46   37  117                                                 
CONECT   47   36  118                                                 
CONECT   48    1  119                                                 
CONECT   49   28  120                                                 
CONECT   50   23  121                                                 
CONECT   51    3   16                                                 
CONECT   52   27  122                                                 
CONECT   53   15   25                                                 
CONECT   54   24  123                                                 
CONECT   55   35   19                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   34                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   40                                                      
CONECT  114   40                                                      
CONECT  115   43                                                      
CONECT  116   45                                                      
CONECT  117   46                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   49                                                      
CONECT  121   50                                                      
CONECT  122   52                                                      
CONECT  123   54                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
