COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.474   1.176   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.287   1.249  -0.703  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.116   3.392   0.835  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.915  -0.996   0.991  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.092   1.962  -0.542  1.00  0.00           C  
HETATM    6  N   UNL     1     -11.508  -2.536   0.304  1.00  0.00           N  
HETATM    7  N   UNL     1     -10.170  -3.077   2.120  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.926   3.463   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.219   2.472  -1.403  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.318   1.572   0.584  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.513   2.392  -0.636  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.890   2.248   0.769  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.318  -0.071  -0.071  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.548  -2.209   1.123  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.833   1.939  -1.024  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.738   1.443  -0.187  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.439   2.054  -0.645  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.429   2.828  -1.579  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.655  -0.080  -0.306  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.924  -0.707   0.275  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.841  -2.230   0.156  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.056  -2.831   0.712  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.208  -4.190   0.715  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.251  -4.968   0.213  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.312  -4.736   1.221  1.00  0.00           N1+
HETATM   26  N   UNL     1      -0.289   1.741  -0.017  1.00  0.00           N  
HETATM   27  C   UNL     1       0.974   2.335  -0.463  1.00  0.00           C  
HETATM   28  C   UNL     1       1.156   3.702   0.199  1.00  0.00           C  
HETATM   29  C   UNL     1       1.335   3.519   1.708  1.00  0.00           C  
HETATM   30  C   UNL     1       2.394   4.390  -0.381  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.079   4.566  -0.066  1.00  0.00           C  
HETATM   32  C   UNL     1       2.118   1.433  -0.076  1.00  0.00           C  
HETATM   33  O   UNL     1       1.938   0.529   0.712  1.00  0.00           O  
HETATM   34  N   UNL     1       3.341   1.632  -0.605  1.00  0.00           N  
HETATM   35  C   UNL     1       4.470   0.806  -0.170  1.00  0.00           C  
HETATM   36  C   UNL     1       5.758   1.557  -0.393  1.00  0.00           C  
HETATM   37  O   UNL     1       5.734   2.673  -0.867  1.00  0.00           O  
HETATM   38  C   UNL     1       4.493  -0.494  -0.978  1.00  0.00           C  
HETATM   39  C   UNL     1       3.243  -1.315  -0.657  1.00  0.00           C  
HETATM   40  C   UNL     1       3.265  -2.615  -1.464  1.00  0.00           C  
HETATM   41  N   UNL     1       2.068  -3.401  -1.157  1.00  0.00           N  
HETATM   42  C   UNL     1       1.870  -4.611  -1.764  1.00  0.00           C  
HETATM   43  N   UNL     1       2.765  -5.073  -2.636  1.00  0.00           N  
HETATM   44  N   UNL     1       0.781  -5.326  -1.485  1.00  0.00           N1+
HETATM   45  N   UNL     1       6.935   0.990  -0.064  1.00  0.00           N  
HETATM   46  C   UNL     1       8.186   1.720  -0.279  1.00  0.00           C  
HETATM   47  C   UNL     1       9.348   0.871   0.168  1.00  0.00           C  
HETATM   48  C   UNL     1       9.792   0.945   1.476  1.00  0.00           C  
HETATM   49  C   UNL     1      10.855   0.170   1.891  1.00  0.00           C  
HETATM   50  C   UNL     1      11.482  -0.691   0.990  1.00  0.00           C  
HETATM   51  C   UNL     1      12.623  -1.526   1.430  1.00  0.00           C  
HETATM   52  N   UNL     1      13.043  -1.458   2.660  1.00  0.00           N  
HETATM   53  N   UNL     1      13.239  -2.375   0.537  1.00  0.00           N  
HETATM   54  C   UNL     1      11.029  -0.761  -0.327  1.00  0.00           C  
HETATM   55  C   UNL     1       9.961   0.015  -0.729  1.00  0.00           C  
HETATM   56  H   UNL     1      -7.965   0.413  -1.306  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.441   4.229   1.434  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.201  -0.753   1.601  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.955  -3.391   0.397  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.456  -2.834   2.730  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.617  -3.933   2.213  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.322   4.356   0.188  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.024   3.508  -1.680  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.293   1.863  -2.304  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.820   2.193   1.315  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.368   0.193   0.057  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.179  -0.548  -1.041  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.653   2.251  -1.924  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.922   1.717   0.852  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.560  -0.358  -1.355  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.787  -0.441   0.245  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.019  -0.430   1.325  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.793  -0.347  -0.276  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.746  -2.508  -0.893  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.973  -2.591   0.707  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.753  -2.264   1.078  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.446  -4.571  -0.156  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.358  -5.932   0.215  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.010  -4.169   1.587  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.420  -5.700   1.223  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.296   1.122   0.729  1.00  0.00           H  
HETATM   82  H   UNL     1       0.957   2.455  -1.546  1.00  0.00           H  
HETATM   83  H   UNL     1       2.215   2.903   1.897  1.00  0.00           H  
HETATM   84  H   UNL     1       1.465   4.492   2.180  1.00  0.00           H  
HETATM   85  H   UNL     1       0.454   3.029   2.121  1.00  0.00           H  
HETATM   86  H   UNL     1       2.212   4.644  -1.425  1.00  0.00           H  
HETATM   87  H   UNL     1       2.603   5.298   0.183  1.00  0.00           H  
HETATM   88  H   UNL     1       3.248   3.716  -0.315  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.960   4.076   0.347  1.00  0.00           H  
HETATM   90  H   UNL     1       0.051   5.540   0.406  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.206   4.697  -1.141  1.00  0.00           H  
HETATM   92  H   UNL     1       3.474   2.321  -1.274  1.00  0.00           H  
HETATM   93  H   UNL     1       4.364   0.573   0.889  1.00  0.00           H  
HETATM   94  H   UNL     1       4.510  -0.260  -2.043  1.00  0.00           H  
HETATM   95  H   UNL     1       5.382  -1.068  -0.718  1.00  0.00           H  
HETATM   96  H   UNL     1       3.225  -1.549   0.408  1.00  0.00           H  
HETATM   97  H   UNL     1       2.354  -0.741  -0.917  1.00  0.00           H  
HETATM   98  H   UNL     1       3.282  -2.381  -2.529  1.00  0.00           H  
HETATM   99  H   UNL     1       4.154  -3.189  -1.204  1.00  0.00           H  
HETATM  100  H   UNL     1       1.416  -3.065  -0.522  1.00  0.00           H  
HETATM  101  H   UNL     1       3.557  -4.552  -2.839  1.00  0.00           H  
HETATM  102  H   UNL     1       2.624  -5.931  -3.066  1.00  0.00           H  
HETATM  103  H   UNL     1       0.641  -6.184  -1.916  1.00  0.00           H  
HETATM  104  H   UNL     1       0.130  -4.989  -0.850  1.00  0.00           H  
HETATM  105  H   UNL     1       6.954   0.097   0.316  1.00  0.00           H  
HETATM  106  H   UNL     1       8.293   1.953  -1.339  1.00  0.00           H  
HETATM  107  H   UNL     1       8.170   2.646   0.296  1.00  0.00           H  
HETATM  108  H   UNL     1       9.307   1.612   2.173  1.00  0.00           H  
HETATM  109  H   UNL     1      11.202   0.229   2.913  1.00  0.00           H  
HETATM  110  H   UNL     1      13.790  -2.005   2.948  1.00  0.00           H  
HETATM  111  H   UNL     1      12.926  -2.425  -0.380  1.00  0.00           H  
HETATM  112  H   UNL     1      13.987  -2.922   0.825  1.00  0.00           H  
HETATM  113  H   UNL     1      11.510  -1.425  -1.030  1.00  0.00           H  
HETATM  114  H   UNL     1       9.607  -0.042  -1.748  1.00  0.00           H  
CONECT    1   12   12    2   13                                       
CONECT    2   11   11    1   56                                       
CONECT    3    8    8   12   57                                       
CONECT    4   13   14   58                                            
CONECT    5    9   10   10   15                                       
CONECT    6   14   14   59                                            
CONECT    7   14   60   61                                            
CONECT    8    3    3   11   62                                       
CONECT    9   11    5   63   64                                       
CONECT   10    5    5                                                 
CONECT   11    8    9    2    2                                       
CONECT   12    3    1    1   65                                       
CONECT   13    1    4   66   67                                       
CONECT   14    4    6    6    7                                       
CONECT   15   16   68    5                                            
CONECT   16   15   17   19   69                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   76                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   77   78                                            
CONECT   25   23   23   79   80                                       
CONECT   26   27   81   17                                            
CONECT   27   26   28   32   82                                       
CONECT   28   27   29   30   31                                       
CONECT   29   28   83   84   85                                       
CONECT   30   28   86   87   88                                       
CONECT   31   28   89   90   91                                       
CONECT   32   27   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   35   92   32                                            
CONECT   35   34   36   38   93                                       
CONECT   36   35   37   37   45                                       
CONECT   37   36   36                                                 
CONECT   38   35   39   94   95                                       
CONECT   39   38   40   96   97                                       
CONECT   40   39   41   98   99                                       
CONECT   41   40   42  100                                            
CONECT   42   41   43   44   44                                       
CONECT   43   42  101  102                                            
CONECT   44   42   42  103  104                                       
CONECT   45   46  105   36                                            
CONECT   46   45   47  106  107                                       
CONECT   47   46   55   55   48                                       
CONECT   48   47   49   49  108                                       
CONECT   49   48   48   50  109                                       
CONECT   50   49   54   54   51                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51  110                                            
CONECT   53   51  111  112                                            
CONECT   54   50   50   55  113                                       
CONECT   55   47   47   54  114                                       
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   54                                                      
CONECT  114   55                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
