COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1     -13.439  -0.144  -0.882  1.00  0.00           B1-
HETATM    2  C   UNL     1       4.871  -2.296   2.456  1.00  0.00           C  
HETATM    3  C   UNL     1       6.276  -2.104   1.945  1.00  0.00           C  
HETATM    4  C   UNL     1       7.321  -1.830   2.834  1.00  0.00           C  
HETATM    5  C   UNL     1       9.642  -1.359   3.359  1.00  0.00           C  
HETATM    6  C   UNL     1       8.886  -1.739   1.069  1.00  0.00           C  
HETATM    7  C   UNL     1      10.599  -0.296   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1       9.689   0.748   0.119  1.00  0.00           C  
HETATM    9  C   UNL     1      10.113   1.994  -0.300  1.00  0.00           C  
HETATM   10  C   UNL     1      11.442   2.204  -0.622  1.00  0.00           C  
HETATM   11  C   UNL     1      12.352   1.167  -0.524  1.00  0.00           C  
HETATM   12  C   UNL     1      11.935  -0.083  -0.105  1.00  0.00           C  
HETATM   13  C   UNL     1       7.883  -2.021   0.147  1.00  0.00           C  
HETATM   14  C   UNL     1       8.150  -2.129  -1.289  1.00  0.00           C  
HETATM   15  C   UNL     1       7.355  -2.509  -3.554  1.00  0.00           C  
HETATM   16  C   UNL     1       7.089  -3.866  -4.210  1.00  0.00           C  
HETATM   17  C   UNL     1       8.527  -3.382  -4.007  1.00  0.00           C  
HETATM   18  C   UNL     1       5.867  -2.558  -1.642  1.00  0.00           C  
HETATM   19  C   UNL     1       4.239  -2.651   0.084  1.00  0.00           C  
HETATM   20  C   UNL     1       3.787  -3.918   0.432  1.00  0.00           C  
HETATM   21  C   UNL     1       2.483  -4.097   0.851  1.00  0.00           C  
HETATM   22  C   UNL     1       1.624  -3.017   0.926  1.00  0.00           C  
HETATM   23  C   UNL     1       2.070  -1.748   0.580  1.00  0.00           C  
HETATM   24  C   UNL     1       0.263  -0.605   1.624  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.750   0.511   1.636  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.690   0.333   2.830  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.582   1.319   3.923  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.556   2.496   3.836  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.292   3.429   2.471  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.075   3.197   1.177  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.649   1.570   0.276  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.470   0.313   0.404  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.252   0.081  -0.890  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.074  -1.176  -0.762  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.562  -2.466  -0.625  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.630  -3.314  -0.541  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.790  -2.511  -0.631  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.148  -2.854  -0.601  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.172  -1.925  -0.703  1.00  0.00           C  
HETATM   40  C   UNL     1     -16.566  -2.062  -0.695  1.00  0.00           C  
HETATM   41  C   UNL     1     -17.111  -0.800  -0.829  1.00  0.00           C  
HETATM   42  C   UNL     1     -16.064   0.112  -0.921  1.00  0.00           C  
HETATM   43  C   UNL     1     -16.200   1.563  -1.072  1.00  0.00           C  
HETATM   44  C   UNL     1     -15.205   2.441  -1.456  1.00  0.00           C  
HETATM   45  C   UNL     1     -15.771   3.720  -1.475  1.00  0.00           C  
HETATM   46  C   UNL     1     -17.071   3.606  -1.113  1.00  0.00           C  
HETATM   47  C   UNL     1       3.379  -1.565   0.158  1.00  0.00           C  
HETATM   48  C   UNL     1       6.547  -2.201   0.596  1.00  0.00           C  
HETATM   49  F   UNL     1      12.824  -1.096  -0.009  1.00  0.00           F  
HETATM   50  F   UNL     1     -13.237   0.749   0.138  1.00  0.00           F  
HETATM   51  F   UNL     1     -13.227   0.517  -2.063  1.00  0.00           F  
HETATM   52  I   UNL     1      12.077   4.096  -1.258  1.00  0.00           I  
HETATM   53  N   UNL     1       8.580  -1.656   2.394  1.00  0.00           N  
HETATM   54  N   UNL     1      10.174  -1.558   0.649  1.00  0.00           N  
HETATM   55  N   UNL     1       7.113  -2.395  -2.113  1.00  0.00           N  
HETATM   56  N   UNL     1       5.563  -2.469  -0.336  1.00  0.00           N  
HETATM   57  N   UNL     1       1.199  -0.655   0.655  1.00  0.00           N  
HETATM   58  N   UNL     1      -7.873   1.975   1.301  1.00  0.00           N  
HETATM   59  N   UNL     1     -17.344   2.298  -0.865  1.00  0.00           N  
HETATM   60  N   UNL     1     -14.890  -0.575  -0.843  1.00  0.00           N  
HETATM   61  N   UNL     1     -12.388  -1.232  -0.763  1.00  0.00           N1+
HETATM   62  O   UNL     1       7.086  -1.748   4.029  1.00  0.00           O  
HETATM   63  O   UNL     1       9.276  -1.983  -1.728  1.00  0.00           O  
HETATM   64  O   UNL     1       4.974  -2.795  -2.432  1.00  0.00           O  
HETATM   65  O   UNL     1       0.235  -1.459   2.485  1.00  0.00           O  
HETATM   66  O   UNL     1      -2.650   1.391   2.842  1.00  0.00           O  
HETATM   67  O   UNL     1      -5.344   2.374   2.650  1.00  0.00           O  
HETATM   68  O   UNL     1      -8.686   2.217  -0.749  1.00  0.00           O  
HETATM   69  H   UNL     1       4.843  -2.093   3.527  1.00  0.00           H  
HETATM   70  H   UNL     1       4.200  -1.610   1.939  1.00  0.00           H  
HETATM   71  H   UNL     1       4.555  -3.322   2.272  1.00  0.00           H  
HETATM   72  H   UNL     1       9.661  -0.288   3.559  1.00  0.00           H  
HETATM   73  H   UNL     1       9.451  -1.899   4.286  1.00  0.00           H  
HETATM   74  H   UNL     1      10.602  -1.670   2.948  1.00  0.00           H  
HETATM   75  H   UNL     1       8.651   0.586   0.369  1.00  0.00           H  
HETATM   76  H   UNL     1       9.405   2.806  -0.378  1.00  0.00           H  
HETATM   77  H   UNL     1      13.389   1.334  -0.776  1.00  0.00           H  
HETATM   78  H   UNL     1       7.137  -1.616  -4.139  1.00  0.00           H  
HETATM   79  H   UNL     1       6.734  -4.673  -3.569  1.00  0.00           H  
HETATM   80  H   UNL     1       6.696  -3.865  -5.226  1.00  0.00           H  
HETATM   81  H   UNL     1       9.080  -3.064  -4.890  1.00  0.00           H  
HETATM   82  H   UNL     1       9.118  -3.872  -3.233  1.00  0.00           H  
HETATM   83  H   UNL     1       4.456  -4.764   0.374  1.00  0.00           H  
HETATM   84  H   UNL     1       2.134  -5.083   1.120  1.00  0.00           H  
HETATM   85  H   UNL     1       0.605  -3.160   1.254  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.235   1.468   1.718  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.327   0.487   0.712  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.205  -0.624   2.747  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.112   0.356   3.754  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.043   1.363   4.870  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.136   0.383   3.863  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.210   2.491   4.708  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.996   3.430   3.806  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.768   4.383   2.414  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.982   3.444   3.316  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.735   4.045   0.996  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.379   3.094   0.345  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.810  -0.535   0.586  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.166   0.416   1.236  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.913   0.929  -1.072  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.556  -0.022  -1.722  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.519  -2.742  -0.591  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.595  -4.388  -0.428  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.410  -3.896  -0.493  1.00  0.00           H  
HETATM  105  H   UNL     1     -17.115  -2.987  -0.601  1.00  0.00           H  
HETATM  106  H   UNL     1     -18.165  -0.563  -0.860  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.183   2.187  -1.694  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.261   4.637  -1.734  1.00  0.00           H  
HETATM  109  H   UNL     1     -17.775   4.421  -1.033  1.00  0.00           H  
HETATM  110  H   UNL     1       3.728  -0.579  -0.111  1.00  0.00           H  
HETATM  111  H   UNL     1      10.794  -2.304   0.649  1.00  0.00           H  
HETATM  112  H   UNL     1       1.269   0.066   0.011  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.843   1.457   2.121  1.00  0.00           H  
HETATM  114  H   UNL     1     -18.204   1.942  -0.591  1.00  0.00           H  
CONECT    1   50   51   61   60                                       
CONECT    2    3   69   70   71                                       
CONECT    3   48   48    4    2                                       
CONECT    4    3   53   62   62                                       
CONECT    5   53   72   73   74                                       
CONECT    6   13   13   54   53                                       
CONECT    7   54   12   12    8                                       
CONECT    8    7    9    9   75                                       
CONECT    9    8    8   10   76                                       
CONECT   10   11   11    9   52                                       
CONECT   11   12   10   10   77                                       
CONECT   12   49    7    7   11                                       
CONECT   13   14   48    6    6                                       
CONECT   14   55   63   63   13                                       
CONECT   15   17   16   55   78                                       
CONECT   16   17   15   79   80                                       
CONECT   17   16   15   81   82                                       
CONECT   18   64   64   55   56                                       
CONECT   19   56   47   47   20                                       
CONECT   20   19   21   21   83                                       
CONECT   21   20   20   22   84                                       
CONECT   22   23   23   21   85                                       
CONECT   23   47   57   22   22                                       
CONECT   24   57   25   65   65                                       
CONECT   25   24   26   86   87                                       
CONECT   26   25   66   88   89                                       
CONECT   27   66   28   90   91                                       
CONECT   28   27   67   92   93                                       
CONECT   29   67   30   94   95                                       
CONECT   30   29   58   96   97                                       
CONECT   31   58   68   68   32                                       
CONECT   32   31   33   98   99                                       
CONECT   33   32   34  100  101                                       
CONECT   34   33   35   61   61                                       
CONECT   35   34   36   36  102                                       
CONECT   36   35   35   37  103                                       
CONECT   37   61   36   38   38                                       
CONECT   38   37   37   39  104                                       
CONECT   39   60   38   40   40                                       
CONECT   40   39   39   41  105                                       
CONECT   41   42   42   40  106                                       
CONECT   42   60   43   41   41                                       
CONECT   43   44   44   59   42                                       
CONECT   44   45   43   43  107                                       
CONECT   45   44   46   46  108                                       
CONECT   46   45   45   59  109                                       
CONECT   47   19   19   23  110                                       
CONECT   48   56   13    3    3                                       
CONECT   49   12                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52   10                                                      
CONECT   53    6    4    5                                            
CONECT   54    6    7  111                                            
CONECT   55   15   18   14                                            
CONECT   56   18   19   48                                            
CONECT   57   23   24  112                                            
CONECT   58   30   31  113                                            
CONECT   59   46   43  114                                            
CONECT   60    1   42   39                                            
CONECT   61   34   34    1   37                                       
CONECT   62    4    4                                                 
CONECT   63   14   14                                                 
CONECT   64   18   18                                                 
CONECT   65   24   24                                                 
CONECT   66   26   27                                                 
CONECT   67   28   29                                                 
CONECT   68   31   31                                                 
CONECT   69    2                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   38                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   54                                                      
CONECT  112   57                                                      
CONECT  113   58                                                      
CONECT  114   59                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
