COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.068   0.140  -2.346  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.672  -0.038  -0.766  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.242   0.114  -1.971  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.281   0.215  -2.902  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.221  -0.016  -1.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.153  -0.143   0.009  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.439  -0.279   1.183  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.860  -0.109  -0.370  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.800  -0.235   0.632  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.529  -1.716   0.904  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.804  -2.381   1.425  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.090  -2.401  -0.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.543   0.419   0.119  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.534   0.940  -0.976  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.429   0.426   0.877  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.207   1.063   0.379  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.250   2.561   0.687  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.016   3.240   0.089  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.514   3.171   0.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.008   0.445   1.051  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.113  -0.026   2.164  1.00  0.00           O  
HETATM   22  N   UNL     1       0.180   0.416   0.416  1.00  0.00           N  
HETATM   23  C   UNL     1       1.324  -0.261   1.033  1.00  0.00           C  
HETATM   24  C   UNL     1       1.274  -1.753   0.697  1.00  0.00           C  
HETATM   25  C   UNL     1       0.037  -2.380   1.342  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.081  -3.841   0.905  1.00  0.00           C  
HETATM   27  C   UNL     1       0.165  -2.312   2.865  1.00  0.00           C  
HETATM   28  C   UNL     1       2.604   0.331   0.502  1.00  0.00           C  
HETATM   29  O   UNL     1       2.565   1.230  -0.311  1.00  0.00           O  
HETATM   30  N   UNL     1       3.792  -0.138   0.931  1.00  0.00           N  
HETATM   31  C   UNL     1       5.035   0.359   0.335  1.00  0.00           C  
HETATM   32  C   UNL     1       6.102  -0.699   0.443  1.00  0.00           C  
HETATM   33  C   UNL     1       5.487   1.618   1.077  1.00  0.00           C  
HETATM   34  C   UNL     1       6.698   2.224   0.364  1.00  0.00           C  
HETATM   35  C   UNL     1       7.285   3.391   1.190  1.00  0.00           C  
HETATM   36  C   UNL     1       7.717   4.376   0.081  1.00  0.00           C  
HETATM   37  N   UNL     1       6.858   4.072  -1.069  1.00  0.00           N  
HETATM   38  C   UNL     1       6.278   2.863  -0.941  1.00  0.00           C  
HETATM   39  O   UNL     1       5.526   2.364  -1.752  1.00  0.00           O  
HETATM   40  C   UNL     1       6.672  -1.184  -0.657  1.00  0.00           C  
HETATM   41  C   UNL     1       7.713  -2.216  -0.552  1.00  0.00           C  
HETATM   42  O   UNL     1       8.054  -2.626   0.540  1.00  0.00           O  
HETATM   43  O   UNL     1       8.289  -2.708  -1.667  1.00  0.00           O  
HETATM   44  C   UNL     1       9.318  -3.727  -1.563  1.00  0.00           C  
HETATM   45  C   UNL     1       9.802  -4.109  -2.963  1.00  0.00           C  
HETATM   46  H   UNL     1      -8.127   0.194  -2.874  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.176  -0.146   0.183  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.305   0.145  -2.161  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.632  -0.001  -1.307  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.112   0.252   1.556  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.739  -1.810   1.650  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.611  -3.436   1.619  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.117  -1.893   2.349  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.594  -2.287   0.680  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.181  -1.927  -0.763  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.897  -3.456  -0.198  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.879  -2.307  -1.137  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.436   0.010   1.753  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.135   0.916  -0.699  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.259   2.709   1.767  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.009   3.094  -0.991  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.045   4.307   0.312  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.116   2.803   0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.393   2.687   0.505  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.544   4.238   0.299  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.505   3.023  -1.001  1.00  0.00           H  
HETATM   67  H   UNL     1       0.278   0.844  -0.449  1.00  0.00           H  
HETATM   68  H   UNL     1       1.284  -0.130   2.114  1.00  0.00           H  
HETATM   69  H   UNL     1       1.225  -1.880  -0.384  1.00  0.00           H  
HETATM   70  H   UNL     1       2.170  -2.241   1.080  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.853  -1.834   1.028  1.00  0.00           H  
HETATM   72  H   UNL     1       0.809  -4.387   1.219  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.963  -4.288   1.365  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.173  -3.890  -0.180  1.00  0.00           H  
HETATM   75  H   UNL     1       0.249  -1.270   3.176  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.716  -2.758   3.325  1.00  0.00           H  
HETATM   77  H   UNL     1       1.055  -2.858   3.179  1.00  0.00           H  
HETATM   78  H   UNL     1       3.825  -0.806   1.634  1.00  0.00           H  
HETATM   79  H   UNL     1       4.864   0.598  -0.715  1.00  0.00           H  
HETATM   80  H   UNL     1       6.406  -1.063   1.414  1.00  0.00           H  
HETATM   81  H   UNL     1       4.674   2.344   1.092  1.00  0.00           H  
HETATM   82  H   UNL     1       5.761   1.359   2.100  1.00  0.00           H  
HETATM   83  H   UNL     1       7.456   1.461   0.188  1.00  0.00           H  
HETATM   84  H   UNL     1       6.525   3.836   1.832  1.00  0.00           H  
HETATM   85  H   UNL     1       8.144   3.061   1.775  1.00  0.00           H  
HETATM   86  H   UNL     1       7.561   5.404   0.407  1.00  0.00           H  
HETATM   87  H   UNL     1       8.764   4.217  -0.178  1.00  0.00           H  
HETATM   88  H   UNL     1       6.726   4.664  -1.826  1.00  0.00           H  
HETATM   89  H   UNL     1       6.368  -0.820  -1.628  1.00  0.00           H  
HETATM   90  H   UNL     1       8.909  -4.608  -1.067  1.00  0.00           H  
HETATM   91  H   UNL     1      10.156  -3.340  -0.982  1.00  0.00           H  
HETATM   92  H   UNL     1      10.574  -4.874  -2.885  1.00  0.00           H  
HETATM   93  H   UNL     1       8.964  -4.496  -3.544  1.00  0.00           H  
HETATM   94  H   UNL     1      10.211  -3.228  -3.458  1.00  0.00           H  
CONECT    1    4    5    5   46                                       
CONECT    2    3    3    5   47                                       
CONECT    3    2    2    4   48                                       
CONECT    4    1    3                                                 
CONECT    5    1    1    2    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   49                                            
CONECT    9    8   10   13   50                                       
CONECT   10    9   11   12   51                                       
CONECT   11   10   52   53   54                                       
CONECT   12   10   55   56   57                                       
CONECT   13    9   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   58                                            
CONECT   16   15   17   20   59                                       
CONECT   17   16   18   19   60                                       
CONECT   18   17   61   62   63                                       
CONECT   19   17   64   65   66                                       
CONECT   20   16   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   67                                            
CONECT   23   22   24   28   68                                       
CONECT   24   23   25   69   70                                       
CONECT   25   24   26   27   71                                       
CONECT   26   25   72   73   74                                       
CONECT   27   25   75   76   77                                       
CONECT   28   23   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   78                                            
CONECT   31   30   32   33   79                                       
CONECT   32   31   40   40   80                                       
CONECT   33   31   34   81   82                                       
CONECT   34   33   35   38   83                                       
CONECT   35   34   36   84   85                                       
CONECT   36   35   37   86   87                                       
CONECT   37   36   38   88                                            
CONECT   38   34   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   32   32   41   89                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44                                                 
CONECT   44   43   45   90   91                                       
CONECT   45   44   92   93   94                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
