COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.260   0.060  -0.596  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.674  -0.600   0.420  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126  -0.267   0.070  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.649  -1.081   1.608  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.788  -0.876   1.413  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.178  -0.625   1.175  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.141  -1.172   2.033  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.467  -0.940   1.815  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.869  -0.154   0.733  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.296   0.113   0.476  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.598   1.443  -1.468  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.285   1.740  -2.085  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.913   0.403  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       6.225   0.681  -0.745  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735  -4.294  -3.528  1.00  0.00           C  
HETATM   16  C   UNL     1       4.089  -4.644  -2.906  1.00  0.00           C  
HETATM   17  C   UNL     1       4.310  -3.790  -1.653  1.00  0.00           C  
HETATM   18  C   UNL     1       5.215  -1.776  -2.602  1.00  0.00           C  
HETATM   19  C   UNL     1       5.147  -0.292  -2.860  1.00  0.00           C  
HETATM   20  C   UNL     1       6.344   0.189  -3.670  1.00  0.00           C  
HETATM   21  C   UNL     1       4.964   0.481  -1.561  1.00  0.00           C  
HETATM   22  C   UNL     1       2.654   0.218  -1.023  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.385  -0.634   0.782  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.221  -1.339   1.852  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.625   0.953  -0.687  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.024   1.264  -1.011  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.564   0.165   0.097  1.00  0.00           C  
HETATM   28  C   UNL     1       7.097  -0.556  -0.638  1.00  0.00           C  
HETATM   29  C   UNL     1       5.965   1.370   0.579  1.00  0.00           C  
HETATM   30  C   UNL     1       5.256   3.603   0.024  1.00  0.00           C  
HETATM   31  C   UNL     1       6.496   5.518   0.765  1.00  0.00           C  
HETATM   32  C   UNL     1       7.328   6.045   1.935  1.00  0.00           C  
HETATM   33  C   UNL     1       5.298   6.443   0.533  1.00  0.00           C  
HETATM   34  C   UNL     1       4.437   5.877  -0.600  1.00  0.00           C  
HETATM   35  C   UNL     1       2.551   6.924   0.499  1.00  0.00           C  
HETATM   36  C   UNL     1       3.595   8.000  -1.402  1.00  0.00           C  
HETATM   37  C   UNL     1       4.009   4.451  -0.237  1.00  0.00           C  
HETATM   38  C   UNL     1       5.736   0.547   1.827  1.00  0.00           C  
HETATM   39  C   UNL     1       6.200   1.422   3.026  1.00  0.00           C  
HETATM   40  C   UNL     1       7.903  -0.459   1.885  1.00  0.00           C  
HETATM   41  C   UNL     1       4.252   0.266   2.052  1.00  0.00           C  
HETATM   42  C   UNL     1       4.026  -1.109   2.682  1.00  0.00           C  
HETATM   43  C   UNL     1       2.620  -1.128   3.296  1.00  0.00           C  
HETATM   44  C   UNL     1       4.162  -2.209   1.666  1.00  0.00           C  
HETATM   45  C   UNL     1       3.536  -3.564   1.882  1.00  0.00           C  
HETATM   46  C   UNL     1       4.112  -4.153   3.182  1.00  0.00           C  
HETATM   47  C   UNL     1       3.892  -4.506   0.735  1.00  0.00           C  
HETATM   48  C   UNL     1       2.704  -6.305  -0.032  1.00  0.00           C  
HETATM   49  C   UNL     1       3.245  -4.162  -0.610  1.00  0.00           C  
HETATM   50  C   UNL     1       2.191  -3.063  -0.514  1.00  0.00           C  
HETATM   51  N   UNL     1       1.650  -0.259  -0.261  1.00  0.00           N  
HETATM   52  N   UNL     1     -11.312   1.179  -1.203  1.00  0.00           N  
HETATM   53  N   UNL     1       3.245   6.717  -0.779  1.00  0.00           N  
HETATM   54  N   UNL     1       3.409  -5.872   1.023  1.00  0.00           N  
HETATM   55  O   UNL     1       4.192  -2.387  -1.987  1.00  0.00           O  
HETATM   56  O   UNL     1       6.187  -2.399  -2.957  1.00  0.00           O  
HETATM   57  O   UNL     1       3.922  -0.164  -0.783  1.00  0.00           O  
HETATM   58  O   UNL     1       2.414   0.994  -1.927  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.998  -0.884   1.019  1.00  0.00           O  
HETATM   60  O   UNL     1     -14.167  -0.344   1.196  1.00  0.00           O  
HETATM   61  O   UNL     1     -16.018   0.780  -0.240  1.00  0.00           O  
HETATM   62  O   UNL     1     -15.285   1.959  -1.974  1.00  0.00           O  
HETATM   63  O   UNL     1       4.863   2.286   0.417  1.00  0.00           O  
HETATM   64  O   UNL     1       6.028   4.202   1.067  1.00  0.00           O  
HETATM   65  O   UNL     1       3.265   3.886  -1.319  1.00  0.00           O  
HETATM   66  O   UNL     1       6.488  -0.655   1.912  1.00  0.00           O  
HETATM   67  O   UNL     1       4.797  -2.020   0.655  1.00  0.00           O  
HETATM   68  O   UNL     1       2.205  -7.412  -0.084  1.00  0.00           O  
HETATM   69  O   UNL     1       2.595  -5.411  -1.021  1.00  0.00           O  
HETATM   70  H   UNL     1       0.032  -0.313  -1.595  1.00  0.00           H  
HETATM   71  H   UNL     1       0.119   1.141  -0.571  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.533  -1.681   0.394  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.446  -0.228   1.419  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.267   0.813   0.095  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.353  -0.640  -0.929  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.832  -1.781   2.870  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.206  -1.365   2.479  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.840   2.059  -2.322  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.762   2.324  -2.872  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.622   2.383  -1.507  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.708   0.930  -2.532  1.00  0.00           H  
HETATM   82  H   UNL     1       6.841   1.426  -1.328  1.00  0.00           H  
HETATM   83  H   UNL     1       2.751  -3.261  -3.876  1.00  0.00           H  
HETATM   84  H   UNL     1       2.541  -4.958  -4.371  1.00  0.00           H  
HETATM   85  H   UNL     1       1.950  -4.415  -2.782  1.00  0.00           H  
HETATM   86  H   UNL     1       4.102  -5.699  -2.633  1.00  0.00           H  
HETATM   87  H   UNL     1       4.882  -4.444  -3.626  1.00  0.00           H  
HETATM   88  H   UNL     1       5.300  -3.995  -1.245  1.00  0.00           H  
HETATM   89  H   UNL     1       4.241  -0.117  -3.476  1.00  0.00           H  
HETATM   90  H   UNL     1       6.365  -0.328  -4.629  1.00  0.00           H  
HETATM   91  H   UNL     1       6.262   1.263  -3.837  1.00  0.00           H  
HETATM   92  H   UNL     1       7.262  -0.025  -3.122  1.00  0.00           H  
HETATM   93  H   UNL     1       4.577   1.485  -1.835  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.660  -1.014  -0.202  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.573   0.439   0.822  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.946  -0.958   2.836  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.033  -2.411   1.812  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.818   0.586  -0.562  1.00  0.00           H  
HETATM   99  H   UNL     1       6.657  -1.250   0.078  1.00  0.00           H  
HETATM  100  H   UNL     1       7.168  -1.036  -1.614  1.00  0.00           H  
HETATM  101  H   UNL     1       8.094  -0.269  -0.301  1.00  0.00           H  
HETATM  102  H   UNL     1       6.849   2.022   0.780  1.00  0.00           H  
HETATM  103  H   UNL     1       5.855   3.547  -0.885  1.00  0.00           H  
HETATM  104  H   UNL     1       7.111   5.487  -0.134  1.00  0.00           H  
HETATM  105  H   UNL     1       6.713   6.075   2.835  1.00  0.00           H  
HETATM  106  H   UNL     1       8.181   5.386   2.100  1.00  0.00           H  
HETATM  107  H   UNL     1       7.684   7.049   1.705  1.00  0.00           H  
HETATM  108  H   UNL     1       4.704   6.506   1.445  1.00  0.00           H  
HETATM  109  H   UNL     1       5.653   7.437   0.259  1.00  0.00           H  
HETATM  110  H   UNL     1       5.014   5.861  -1.524  1.00  0.00           H  
HETATM  111  H   UNL     1       3.223   7.416   1.202  1.00  0.00           H  
HETATM  112  H   UNL     1       1.673   7.550   0.338  1.00  0.00           H  
HETATM  113  H   UNL     1       2.241   5.961   0.905  1.00  0.00           H  
HETATM  114  H   UNL     1       3.970   7.824  -2.411  1.00  0.00           H  
HETATM  115  H   UNL     1       2.710   8.635  -1.449  1.00  0.00           H  
HETATM  116  H   UNL     1       4.365   8.494  -0.810  1.00  0.00           H  
HETATM  117  H   UNL     1       3.389   4.473   0.659  1.00  0.00           H  
HETATM  118  H   UNL     1       6.042   0.877   3.956  1.00  0.00           H  
HETATM  119  H   UNL     1       7.260   1.655   2.917  1.00  0.00           H  
HETATM  120  H   UNL     1       5.625   2.348   3.044  1.00  0.00           H  
HETATM  121  H   UNL     1       8.155   0.268   1.113  1.00  0.00           H  
HETATM  122  H   UNL     1       8.237  -0.090   2.855  1.00  0.00           H  
HETATM  123  H   UNL     1       8.397  -1.406   1.667  1.00  0.00           H  
HETATM  124  H   UNL     1       3.875   1.020   2.767  1.00  0.00           H  
HETATM  125  H   UNL     1       3.673   0.371   1.151  1.00  0.00           H  
HETATM  126  H   UNL     1       4.751  -1.263   3.483  1.00  0.00           H  
HETATM  127  H   UNL     1       1.881  -0.946   2.516  1.00  0.00           H  
HETATM  128  H   UNL     1       2.436  -2.100   3.752  1.00  0.00           H  
HETATM  129  H   UNL     1       2.546  -0.350   4.056  1.00  0.00           H  
HETATM  130  H   UNL     1       2.459  -3.483   1.994  1.00  0.00           H  
HETATM  131  H   UNL     1       3.876  -3.493   4.017  1.00  0.00           H  
HETATM  132  H   UNL     1       3.675  -5.135   3.361  1.00  0.00           H  
HETATM  133  H   UNL     1       5.194  -4.249   3.090  1.00  0.00           H  
HETATM  134  H   UNL     1       4.986  -4.541   0.626  1.00  0.00           H  
HETATM  135  H   UNL     1       1.662  -2.983  -1.463  1.00  0.00           H  
HETATM  136  H   UNL     1       1.483  -3.308   0.278  1.00  0.00           H  
HETATM  137  H   UNL     1       2.676  -2.114  -0.287  1.00  0.00           H  
HETATM  138  H   UNL     1       1.848  -0.814   0.510  1.00  0.00           H  
HETATM  139  H   UNL     1       3.568  -6.386   1.830  1.00  0.00           H  
HETATM  140  H   UNL     1     -16.923   1.012  -0.493  1.00  0.00           H  
HETATM  141  H   UNL     1       2.966   2.981  -1.160  1.00  0.00           H  
CONECT    1    2   51   70   71                                       
CONECT    2    1    3   72   73                                       
CONECT    3    2   59   74   75                                       
CONECT    4    5    5    5   24                                       
CONECT    5    6    4    4    4                                       
CONECT    6   27   27    7    5                                       
CONECT    7    6    8    8   76                                       
CONECT    8    9    7    7   77                                       
CONECT    9   10   13   13    8                                       
CONECT   10   25   60   60    9                                       
CONECT   11   25   25   52   78                                       
CONECT   12   52   79   80   81                                       
CONECT   13   52    9    9   27                                       
CONECT   14   21   29   28   82                                       
CONECT   15   16   83   84   85                                       
CONECT   16   15   17   86   87                                       
CONECT   17   16   49   55   88                                       
CONECT   18   56   56   55   19                                       
CONECT   19   18   20   21   89                                       
CONECT   20   19   90   91   92                                       
CONECT   21   19   14   57   93                                       
CONECT   22   58   58   57   51                                       
CONECT   23   24   59   94   95                                       
CONECT   24    4   23   96   97                                       
CONECT   25   26   11   11   10                                       
CONECT   26   62   62   61   25                                       
CONECT   27   13    6    6   98                                       
CONECT   28   14   99  100  101                                       
CONECT   29   38   14   63  102                                       
CONECT   30   63   64   37  103                                       
CONECT   31   64   32   33  104                                       
CONECT   32   31  105  106  107                                       
CONECT   33   31   34  108  109                                       
CONECT   34   37   33   53  110                                       
CONECT   35   53  111  112  113                                       
CONECT   36   53  114  115  116                                       
CONECT   37   30   65   34  117                                       
CONECT   38   66   41   39   29                                       
CONECT   39   38  118  119  120                                       
CONECT   40   66  121  122  123                                       
CONECT   41   42   38  124  125                                       
CONECT   42   44   43   41  126                                       
CONECT   43   42  127  128  129                                       
CONECT   44   67   67   45   42                                       
CONECT   45   47   46   44  130                                       
CONECT   46   45  131  132  133                                       
CONECT   47   54   49   45  134                                       
CONECT   48   68   68   69   54                                       
CONECT   49   69   17   47   50                                       
CONECT   50   49  135  136  137                                       
CONECT   51   22    1  138                                            
CONECT   52   11   12   13                                            
CONECT   53   34   35   36                                            
CONECT   54   48   47  139                                            
CONECT   55   17   18                                                 
CONECT   56   18   18                                                 
CONECT   57   21   22                                                 
CONECT   58   22   22                                                 
CONECT   59   23    3                                                 
CONECT   60   10   10                                                 
CONECT   61   26  140                                                 
CONECT   62   26   26                                                 
CONECT   63   29   30                                                 
CONECT   64   30   31                                                 
CONECT   65   37  141                                                 
CONECT   66   40   38                                                 
CONECT   67   44   44                                                 
CONECT   68   48   48                                                 
CONECT   69   48   49                                                 
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   17                                                      
CONECT   89   19                                                      
CONECT   90   20                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   28                                                      
CONECT  101   28                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   32                                                      
CONECT  106   32                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   35                                                      
CONECT  113   35                                                      
CONECT  114   36                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   39                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   40                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   41                                                      
CONECT  126   42                                                      
CONECT  127   43                                                      
CONECT  128   43                                                      
CONECT  129   43                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   47                                                      
CONECT  135   50                                                      
CONECT  136   50                                                      
CONECT  137   50                                                      
CONECT  138   51                                                      
CONECT  139   54                                                      
CONECT  140   61                                                      
CONECT  141   65                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
