COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.620   2.716  -0.985  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.638   1.361   0.523  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.569   2.147  -0.052  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.795   2.369   0.694  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.710   3.265  -0.100  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.640   4.637   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.479   5.459  -0.672  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.389   4.910  -1.556  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.455   3.539  -1.717  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.845   0.874   1.617  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.477   1.115  -0.116  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.465   0.260   0.509  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.775  -1.206   0.201  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.098  -1.597   0.863  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.105   0.611  -0.037  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.388  -2.966   0.575  1.00  0.00           O  
HETATM   17  N   UNL     1      -6.599  -3.430   1.144  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.998  -4.731   0.946  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.261  -5.537   0.234  1.00  0.00           N  
HETATM   20  N   UNL     1      -8.173  -5.181   1.498  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.992   1.489  -0.867  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.013  -0.050   0.396  1.00  0.00           N  
HETATM   23  C   UNL     1       0.309   0.291  -0.135  1.00  0.00           C  
HETATM   24  C   UNL     1       1.224  -0.900  -0.007  1.00  0.00           C  
HETATM   25  O   UNL     1       0.949  -1.797   0.762  1.00  0.00           O  
HETATM   26  C   UNL     1       0.888   1.466   0.655  1.00  0.00           C  
HETATM   27  C   UNL     1       0.032   2.712   0.417  1.00  0.00           C  
HETATM   28  C   UNL     1       0.890   1.126   2.147  1.00  0.00           C  
HETATM   29  N   UNL     1       2.348  -0.968  -0.748  1.00  0.00           N  
HETATM   30  C   UNL     1       3.181  -2.173  -0.706  1.00  0.00           C  
HETATM   31  C   UNL     1       2.638  -3.202  -1.700  1.00  0.00           C  
HETATM   32  C   UNL     1       1.247  -3.657  -1.255  1.00  0.00           C  
HETATM   33  C   UNL     1       0.653  -4.590  -2.312  1.00  0.00           C  
HETATM   34  C   UNL     1       1.354  -4.399   0.078  1.00  0.00           C  
HETATM   35  C   UNL     1       4.620  -1.812  -1.079  1.00  0.00           C  
HETATM   36  O   UNL     1       4.645  -1.261  -2.398  1.00  0.00           O  
HETATM   37  C   UNL     1       5.161  -0.783  -0.086  1.00  0.00           C  
HETATM   38  C   UNL     1       6.616  -0.518  -0.379  1.00  0.00           C  
HETATM   39  O   UNL     1       7.165  -1.097  -1.293  1.00  0.00           O  
HETATM   40  C   UNL     1      10.717   1.910   0.790  1.00  0.00           C  
HETATM   41  C   UNL     1      11.073   2.915  -0.090  1.00  0.00           C  
HETATM   42  C   UNL     1      12.407   3.161  -0.355  1.00  0.00           C  
HETATM   43  C   UNL     1      13.385   2.403   0.261  1.00  0.00           C  
HETATM   44  C   UNL     1      13.029   1.398   1.141  1.00  0.00           C  
HETATM   45  C   UNL     1      11.695   1.151   1.405  1.00  0.00           C  
HETATM   46  C   UNL     1       9.262   1.646   1.083  1.00  0.00           C  
HETATM   47  C   UNL     1       8.720   0.617   0.089  1.00  0.00           C  
HETATM   48  N   UNL     1       7.307   0.360   0.375  1.00  0.00           N  
HETATM   49  H   UNL     1      -9.674   1.644  -1.107  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.289   1.413   0.873  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.561   2.842   1.647  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.929   5.066   0.747  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.428   6.531  -0.546  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.045   5.553  -2.125  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.165   3.110  -2.408  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.312   1.504  -0.989  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.474   0.415   1.588  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.853  -1.342  -0.877  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.975  -1.836   0.590  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.020  -1.460   1.941  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.898  -0.967   0.474  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.147  -2.830   1.674  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.432  -5.219  -0.156  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.721  -4.582   2.028  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.455  -6.099   1.358  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.103  -0.752   1.060  1.00  0.00           H  
HETATM   67  H   UNL     1       0.218   0.568  -1.185  1.00  0.00           H  
HETATM   68  H   UNL     1       1.909   1.658   0.325  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.957   2.560   0.848  1.00  0.00           H  
HETATM   70  H   UNL     1       0.506   3.573   0.888  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.061   2.889  -0.654  1.00  0.00           H  
HETATM   72  H   UNL     1       1.500   0.239   2.317  1.00  0.00           H  
HETATM   73  H   UNL     1       1.303   1.963   2.710  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.131   0.934   2.477  1.00  0.00           H  
HETATM   75  H   UNL     1       2.606  -0.220  -1.308  1.00  0.00           H  
HETATM   76  H   UNL     1       3.161  -2.593   0.300  1.00  0.00           H  
HETATM   77  H   UNL     1       2.575  -2.752  -2.690  1.00  0.00           H  
HETATM   78  H   UNL     1       3.308  -4.062  -1.734  1.00  0.00           H  
HETATM   79  H   UNL     1       0.601  -2.786  -1.136  1.00  0.00           H  
HETATM   80  H   UNL     1       1.298  -5.460  -2.432  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.338  -4.913  -1.996  1.00  0.00           H  
HETATM   82  H   UNL     1       0.577  -4.061  -3.262  1.00  0.00           H  
HETATM   83  H   UNL     1       1.777  -3.734   0.831  1.00  0.00           H  
HETATM   84  H   UNL     1       0.362  -4.722   0.395  1.00  0.00           H  
HETATM   85  H   UNL     1       1.999  -5.269  -0.041  1.00  0.00           H  
HETATM   86  H   UNL     1       5.239  -2.708  -1.048  1.00  0.00           H  
HETATM   87  H   UNL     1       4.114  -0.459  -2.499  1.00  0.00           H  
HETATM   88  H   UNL     1       4.597   0.145  -0.180  1.00  0.00           H  
HETATM   89  H   UNL     1       5.060  -1.168   0.929  1.00  0.00           H  
HETATM   90  H   UNL     1      10.309   3.507  -0.571  1.00  0.00           H  
HETATM   91  H   UNL     1      12.686   3.945  -1.043  1.00  0.00           H  
HETATM   92  H   UNL     1      14.428   2.595   0.054  1.00  0.00           H  
HETATM   93  H   UNL     1      13.793   0.805   1.622  1.00  0.00           H  
HETATM   94  H   UNL     1      11.417   0.366   2.093  1.00  0.00           H  
HETATM   95  H   UNL     1       9.161   1.260   2.098  1.00  0.00           H  
HETATM   96  H   UNL     1       8.698   2.574   0.989  1.00  0.00           H  
HETATM   97  H   UNL     1       8.822   1.003  -0.925  1.00  0.00           H  
HETATM   98  H   UNL     1       9.284  -0.311   0.183  1.00  0.00           H  
HETATM   99  H   UNL     1       6.867   0.822   1.105  1.00  0.00           H  
CONECT    1    9    9    5   49                                       
CONECT    2   11   10   10    3                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   50   51                                       
CONECT    5    6    6    1    4                                       
CONECT    6    7    5    5   52                                       
CONECT    7    8    8    6   53                                       
CONECT    8    7    7    9   54                                       
CONECT    9    8    1    1   55                                       
CONECT   10    2    2                                                 
CONECT   11   12    2   56                                            
CONECT   12   13   11   15   57                                       
CONECT   13   14   12   58   59                                       
CONECT   14   16   13   60   61                                       
CONECT   15   12   22   21   21                                       
CONECT   16   17   14                                                 
CONECT   17   18   16   62                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18   63                                            
CONECT   20   18   64   65                                            
CONECT   21   15   15                                                 
CONECT   22   15   23   66                                            
CONECT   23   22   24   26   67                                       
CONECT   24   25   25   29   23                                       
CONECT   25   24   24                                                 
CONECT   26   23   28   27   68                                       
CONECT   27   26   69   70   71                                       
CONECT   28   26   72   73   74                                       
CONECT   29   30   24   75                                            
CONECT   30   31   29   35   76                                       
CONECT   31   32   30   77   78                                       
CONECT   32   33   34   31   79                                       
CONECT   33   32   80   81   82                                       
CONECT   34   32   83   84   85                                       
CONECT   35   30   36   37   86                                       
CONECT   36   35   87                                                 
CONECT   37   35   38   88   89                                       
CONECT   38   39   39   48   37                                       
CONECT   39   38   38                                                 
CONECT   40   46   41   41   45                                       
CONECT   41   40   40   42   90                                       
CONECT   42   41   43   43   91                                       
CONECT   43   42   42   44   92                                       
CONECT   44   45   45   43   93                                       
CONECT   45   40   44   44   94                                       
CONECT   46   47   40   95   96                                       
CONECT   47   48   46   97   98                                       
CONECT   48   47   38   99                                            
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
