COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.791  -2.491  -0.549  1.00  0.00           O  
HETATM    2  N   UNL     1       0.645  -1.505   0.428  1.00  0.00           N  
HETATM    3  N   UNL     1      -2.458   1.721  -1.398  1.00  0.00           N  
HETATM    4  O   UNL     1      -4.115   0.441  -2.284  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.273  -1.258   1.202  1.00  0.00           C  
HETATM    6  C   UNL     1       0.558  -2.828   0.433  1.00  0.00           C  
HETATM    7  C   UNL     1       1.526   1.246   0.358  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.444   2.978  -0.640  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.178  -2.463   1.074  1.00  0.00           C  
HETATM   10  C   UNL     1       1.861  -3.368   0.309  1.00  0.00           C  
HETATM   11  C   UNL     1       1.859   2.613   0.305  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.890   3.390  -0.487  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.214  -3.629   0.779  1.00  0.00           C  
HETATM   14  C   UNL     1       2.721  -2.320   0.230  1.00  0.00           C  
HETATM   15  C   UNL     1       0.648   3.325   0.440  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.630   2.451  -1.100  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.849  -2.976   0.767  1.00  0.00           C  
HETATM   18  C   UNL     1       1.935  -1.141   0.307  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.351   2.422   0.567  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.742   1.421  -1.669  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.526  -4.252  -0.583  1.00  0.00           C  
HETATM   22  C   UNL     1       4.220  -2.395   0.089  1.00  0.00           C  
HETATM   23  C   UNL     1       3.199   3.184   0.141  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.105   2.453  -1.195  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.911  -4.902  -0.542  1.00  0.00           C  
HETATM   26  C   UNL     1       4.599  -2.293  -1.389  1.00  0.00           C  
HETATM   27  C   UNL     1       4.214   2.764   0.930  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.730   1.470  -1.827  1.00  0.00           C  
HETATM   29  C   UNL     1       6.097  -2.368  -1.530  1.00  0.00           C  
HETATM   30  C   UNL     1       5.551   3.333   0.767  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.684  -3.603   0.548  1.00  0.00           C  
HETATM   32  C   UNL     1       2.417   0.169   0.265  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.811   2.758   0.735  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.931  -2.709   2.382  1.00  0.00           C  
HETATM   35  C   UNL     1       2.224  -4.830   0.271  1.00  0.00           C  
HETATM   36  C   UNL     1       0.495   4.824   0.438  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.404   4.618   0.220  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.002  -1.631   1.013  1.00  0.00           N  
HETATM   39  N   UNL     1       0.164   1.167   0.525  1.00  0.00           N  
HETATM   40  O   UNL     1       6.661  -2.298  -2.746  1.00  0.00           O  
HETATM   41  O   UNL     1       5.750   4.186  -0.078  1.00  0.00           O  
HETATM   42  O   UNL     1       6.564   2.914   1.553  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.644  -0.127   1.436  1.00  0.00           O  
HETATM   44  H   UNL     1      -1.682   1.202  -1.660  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.892   3.741  -1.189  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.879  -2.327   0.250  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.272  -4.381   1.565  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.511  -3.477  -1.350  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.777  -5.009  -0.817  1.00  0.00           H  
HETATM   50  H   UNL     1       4.678  -1.574   0.640  1.00  0.00           H  
HETATM   51  H   UNL     1       4.575  -3.345   0.490  1.00  0.00           H  
HETATM   52  H   UNL     1       3.376   3.941  -0.609  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.673   3.256  -0.748  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.669  -4.132  -0.400  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.095  -5.424  -1.480  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.955  -5.611   0.284  1.00  0.00           H  
HETATM   57  H   UNL     1       4.140  -3.114  -1.940  1.00  0.00           H  
HETATM   58  H   UNL     1       4.243  -1.343  -1.790  1.00  0.00           H  
HETATM   59  H   UNL     1       4.038   2.007   1.679  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.162   0.667  -2.273  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.808   1.472  -1.896  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.659  -4.679   0.457  1.00  0.00           H  
HETATM   63  H   UNL     1       3.476   0.351   0.161  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.908   3.666   1.330  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.317   1.935   1.240  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.557  -1.846   2.609  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.558  -3.595   2.280  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.216  -2.862   3.190  1.00  0.00           H  
HETATM   69  H   UNL     1       1.319  -5.432   0.355  1.00  0.00           H  
HETATM   70  H   UNL     1       2.724  -5.056  -0.670  1.00  0.00           H  
HETATM   71  H   UNL     1       2.891  -5.061   1.102  1.00  0.00           H  
HETATM   72  H   UNL     1       0.576   5.199   1.459  1.00  0.00           H  
HETATM   73  H   UNL     1       1.278   5.269  -0.175  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.481   5.089   0.030  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.470   5.444  -0.489  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.391   4.413   0.633  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.721   4.885   1.026  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.256  -1.011   1.052  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.348   0.345   0.594  1.00  0.00           H  
HETATM   80  H   UNL     1       7.626  -2.350  -2.786  1.00  0.00           H  
HETATM   81  H   UNL     1       7.409   3.347   1.371  1.00  0.00           H  
CONECT    1   29   29                                                 
CONECT    2   18    6    6                                            
CONECT    3   20    8   44                                            
CONECT    4   20   20                                                 
CONECT    5   38    9   43   43                                       
CONECT    6    2    2   10   31                                       
CONECT    7   11   11   39   32                                       
CONECT    8    3   12   33   45                                       
CONECT    9   13    5   34   46                                       
CONECT   10   14   14    6   35                                       
CONECT   11   15   23    7    7                                       
CONECT   12   16   16    8   37                                       
CONECT   13   21   17    9   47                                       
CONECT   14   18   22   10   10                                       
CONECT   15   36   19   19   11                                       
CONECT   16   24   20   12   12                                       
CONECT   17   31   31   13   38                                       
CONECT   18   32   32    2   14                                       
CONECT   19   33   15   15   39                                       
CONECT   20    4    4   16    3                                       
CONECT   21   25   13   48   49                                       
CONECT   22   26   14   50   51                                       
CONECT   23   27   27   11   52                                       
CONECT   24   28   28   16   53                                       
CONECT   25   21   54   55   56                                       
CONECT   26   29   22   57   58                                       
CONECT   27   30   23   23   59                                       
CONECT   28   24   24   60   61                                       
CONECT   29    1    1   40   26                                       
CONECT   30   41   41   27   42                                       
CONECT   31    6   17   17   62                                       
CONECT   32    7   18   18   63                                       
CONECT   33    8   19   64   65                                       
CONECT   34    9   66   67   68                                       
CONECT   35   10   69   70   71                                       
CONECT   36   15   72   73   74                                       
CONECT   37   12   75   76   77                                       
CONECT   38   17    5   78                                            
CONECT   39   19    7   79                                            
CONECT   40   29   80                                                 
CONECT   41   30   30                                                 
CONECT   42   30   81                                                 
CONECT   43    5    5                                                 
CONECT   44    3                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
