COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.101  -3.027  -0.583  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.775  -2.047   0.051  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.247  -2.248   1.150  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.942  -0.701  -0.606  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.661   0.116  -0.428  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.783   1.431  -1.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.502   2.248  -1.022  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.624   3.564  -1.794  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.398   4.346  -1.623  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.278   5.550  -2.217  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.188   5.986  -2.895  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.043   6.338  -2.045  1.00  0.00           C  
HETATM   13  C   UNL     1       0.008   5.837  -1.271  1.00  0.00           C  
HETATM   14  C   UNL     1       1.160   6.576  -1.113  1.00  0.00           C  
HETATM   15  C   UNL     1       1.285   7.816  -1.717  1.00  0.00           C  
HETATM   16  C   UNL     1       0.253   8.326  -2.486  1.00  0.00           C  
HETATM   17  O   UNL     1       0.382   9.544  -3.076  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.914   7.589  -2.661  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.926   8.082  -3.420  1.00  0.00           O  
HETATM   20  N   UNL     1      -7.064   0.009   0.012  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.039   0.291   1.330  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.084  -0.044   2.005  1.00  0.00           O  
HETATM   23  C   UNL     1      -8.169   1.005   1.953  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.268   1.392   1.181  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.321   2.059   1.766  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.300   2.350   3.120  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.218   1.974   3.899  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.204   2.263   5.228  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.149   1.295   3.323  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.087   0.924   4.083  1.00  0.00           O  
HETATM   31  H   UNL     1      -4.724  -2.867  -1.462  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.140  -0.838  -1.669  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.510   0.329   0.630  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.812  -0.451  -0.809  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.934   1.219  -2.259  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.632   1.999  -0.819  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.351   2.461   0.037  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.653   1.681  -1.403  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.775   3.351  -2.852  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.473   4.131  -1.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.672   3.998  -1.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.083   4.871  -0.797  1.00  0.00           H  
HETATM   43  H   UNL     1       1.970   6.186  -0.514  1.00  0.00           H  
HETATM   44  H   UNL     1       2.191   8.388  -1.587  1.00  0.00           H  
HETATM   45  H   UNL     1       0.765   9.513  -3.964  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.566   8.612  -2.925  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.825   0.275  -0.526  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.290   1.168   0.124  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.169   2.356   1.166  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.130   2.874   3.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.592   1.574   5.785  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.174   0.046   4.479  1.00  0.00           H  
HETATM   53  C   UNL     1      -4.934  -4.334   0.059  1.00  0.00           C  
HETATM   54  N   UNL     1      -4.626  -5.993  -1.845  1.00  0.00           N  
HETATM   55  C   UNL     1      -4.144  -5.242  -0.849  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.808  -5.457  -0.816  1.00  0.00           C  
HETATM   57  N   UNL     1      -2.544  -6.339  -1.808  1.00  0.00           N  
HETATM   58  N   UNL     1      -3.653  -6.631  -2.394  1.00  0.00           N  
HETATM   59  C   UNL     1      -1.224  -6.871  -2.155  1.00  0.00           C  
HETATM   60  O   UNL     1      -0.225  -6.304  -1.266  1.00  0.00           O  
HETATM   61  C   UNL     1       1.050  -6.692  -1.453  1.00  0.00           C  
HETATM   62  O   UNL     1       1.321  -7.484  -2.335  1.00  0.00           O  
HETATM   63  N   UNL     1       2.026  -6.204  -0.663  1.00  0.00           N  
HETATM   64  C   UNL     1       3.426  -6.615  -0.850  1.00  0.00           C  
HETATM   65  C   UNL     1       4.295  -5.356  -0.942  1.00  0.00           C  
HETATM   66  N   UNL     1       4.048  -4.508   0.232  1.00  0.00           N  
HETATM   67  C   UNL     1       2.656  -4.041   0.269  1.00  0.00           C  
HETATM   68  C   UNL     1       1.721  -5.241   0.406  1.00  0.00           C  
HETATM   69  C   UNL     1       4.941  -3.429   0.268  1.00  0.00           C  
HETATM   70  C   UNL     1       4.458  -2.125   0.240  1.00  0.00           C  
HETATM   71  C   UNL     1       5.340  -1.061   0.276  1.00  0.00           C  
HETATM   72  C   UNL     1       6.707  -1.295   0.340  1.00  0.00           C  
HETATM   73  C   UNL     1       7.188  -2.597   0.368  1.00  0.00           C  
HETATM   74  C   UNL     1       6.307  -3.661   0.338  1.00  0.00           C  
HETATM   75  F   UNL     1       3.128  -1.898   0.176  1.00  0.00           F  
HETATM   76  H   UNL     1      -4.401  -4.210   1.002  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.913  -4.773   0.250  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.096  -5.014  -0.136  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.230  -7.956  -2.050  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.985  -6.607  -3.185  1.00  0.00           H  
HETATM   81  H   UNL     1       3.746  -7.220  -0.002  1.00  0.00           H  
HETATM   82  H   UNL     1       3.518  -7.192  -1.770  1.00  0.00           H  
HETATM   83  H   UNL     1       0.685  -4.913   0.319  1.00  0.00           H  
HETATM   84  H   UNL     1       1.879  -5.710   1.378  1.00  0.00           H  
HETATM   85  H   UNL     1       2.519  -3.372   1.118  1.00  0.00           H  
HETATM   86  H   UNL     1       2.427  -3.508  -0.655  1.00  0.00           H  
HETATM   87  H   UNL     1       5.347  -5.641  -0.970  1.00  0.00           H  
HETATM   88  H   UNL     1       4.043  -4.806  -1.848  1.00  0.00           H  
HETATM   89  H   UNL     1       4.965  -0.049   0.253  1.00  0.00           H  
HETATM   90  H   UNL     1       6.683  -4.673   0.360  1.00  0.00           H  
HETATM   91  H   UNL     1       8.252  -2.778   0.418  1.00  0.00           H  
HETATM   92  N   UNL     1       7.602  -0.217   0.376  1.00  0.00           N  
HETATM   93  C   UNL     1       9.067  -0.322   0.445  1.00  0.00           C  
HETATM   94  C   UNL     1       9.541   1.144   0.460  1.00  0.00           C  
HETATM   95  O   UNL     1       8.306   1.914   0.399  1.00  0.00           O  
HETATM   96  C   UNL     1       7.261   1.079   0.349  1.00  0.00           C  
HETATM   97  O   UNL     1       6.109   1.461   0.292  1.00  0.00           O  
HETATM   98  H   UNL     1       9.372  -0.832   1.359  1.00  0.00           H  
HETATM   99  H   UNL     1       9.455  -0.841  -0.432  1.00  0.00           H  
HETATM  100  C   UNL     1      10.300   1.449   1.752  1.00  0.00           C  
HETATM  101  H   UNL     1      10.165   1.352  -0.409  1.00  0.00           H  
HETATM  102  N   UNL     1      10.739   2.847   1.742  1.00  0.00           N  
HETATM  103  H   UNL     1      10.531   3.415   0.984  1.00  0.00           H  
HETATM  104  C   UNL     1      11.432   3.343   2.787  1.00  0.00           C  
HETATM  105  C   UNL     1      11.883   4.781   2.776  1.00  0.00           C  
HETATM  106  O   UNL     1      11.691   2.632   3.735  1.00  0.00           O  
HETATM  107  H   UNL     1      11.560   5.256   1.850  1.00  0.00           H  
HETATM  108  H   UNL     1      11.446   5.305   3.626  1.00  0.00           H  
HETATM  109  H   UNL     1      12.970   4.820   2.845  1.00  0.00           H  
HETATM  110  H   UNL     1       9.645   1.280   2.607  1.00  0.00           H  
HETATM  111  H   UNL     1      11.169   0.796   1.826  1.00  0.00           H  
CONECT    1    2   31   53                                            
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5   20    2   32                                       
CONECT    5    6    4   33   34                                       
CONECT    6    7    5   35   36                                       
CONECT    7    8    6   37   38                                       
CONECT    8    9    7   39   40                                       
CONECT    9   10    8   41                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   18   18                                       
CONECT   13   14   14   12   42                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   45                                                 
CONECT   18   12   12   16   19                                       
CONECT   19   18   46                                                 
CONECT   20    4   21   47                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   29   21   24   24                                       
CONECT   24   23   23   25   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   27   25   25   50                                       
CONECT   27   28   29   29   26                                       
CONECT   28   27   51                                                 
CONECT   29   30   27   27   23                                       
CONECT   30   29   52                                                 
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53    1   55   76   77                                       
CONECT   54   55   58   58                                            
CONECT   55   54   56   56   53                                       
CONECT   56   55   55   57   78                                       
CONECT   57   56   58   59                                            
CONECT   58   57   54   54                                            
CONECT   59   57   60   79   80                                       
CONECT   60   59   61                                                 
CONECT   61   60   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63   64   61   68                                            
CONECT   64   63   65   81   82                                       
CONECT   65   64   66   87   88                                       
CONECT   66   65   67   69                                            
CONECT   67   66   68   85   86                                       
CONECT   68   67   63   83   84                                       
CONECT   69   70   74   74   66                                       
CONECT   70   69   71   71   75                                       
CONECT   71   70   70   72   89                                       
CONECT   72   71   73   73   92                                       
CONECT   73   72   72   74   91                                       
CONECT   74   73   69   69   90                                       
CONECT   75   70                                                      
CONECT   76   53                                                      
CONECT   77   53                                                      
CONECT   78   56                                                      
CONECT   79   59                                                      
CONECT   80   59                                                      
CONECT   81   64                                                      
CONECT   82   64                                                      
CONECT   83   68                                                      
CONECT   84   68                                                      
CONECT   85   67                                                      
CONECT   86   67                                                      
CONECT   87   65                                                      
CONECT   88   65                                                      
CONECT   89   71                                                      
CONECT   90   74                                                      
CONECT   91   73                                                      
CONECT   92   93   96   72                                            
CONECT   93   92   94   98   99                                       
CONECT   94   93   95  100  101                                       
CONECT   95   94   96                                                 
CONECT   96   95   92   97   97                                       
CONECT   97   96   96                                                 
CONECT   98   93                                                      
CONECT   99   93                                                      
CONECT  100   94  102  110  111                                       
CONECT  101   94                                                      
CONECT  102  100  103  104                                            
CONECT  103  102                                                      
CONECT  104  102  105  106  106                                       
CONECT  105  104  107  108  109                                       
CONECT  106  104  104                                                 
CONECT  107  105                                                      
CONECT  108  105                                                      
CONECT  109  105                                                      
CONECT  110  100                                                      
CONECT  111  100                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
