COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.059  -0.354  -0.577  1.00  0.00           C  
HETATM    2  C   UNL     1       5.390  -0.020   0.272  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.261   1.423  -0.571  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.138   0.431   0.587  1.00  0.00           C  
HETATM    5  C   UNL     1       1.269  -1.547   0.017  1.00  0.00           C  
HETATM    6  C   UNL     1       6.734   0.335   0.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.238   0.039  -1.188  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.652   1.688   0.624  1.00  0.00           C  
HETATM    9  C   UNL     1       2.473  -1.451   0.742  1.00  0.00           C  
HETATM   10  C   UNL     1       7.490  -0.172  -0.491  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.081  -0.645  -0.489  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.461   1.702  -0.129  1.00  0.00           C  
HETATM   13  C   UNL     1       2.954  -0.204   0.564  1.00  0.00           C  
HETATM   14  C   UNL     1       6.510  -0.869  -1.397  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.580   0.232   0.355  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.265   0.452  -0.598  1.00  0.00           C  
HETATM   17  C   UNL     1       0.378  -2.759  -0.077  1.00  0.00           C  
HETATM   18  C   UNL     1       8.893  -0.066  -0.660  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.599  -2.055  -0.714  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.570   2.893  -0.368  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.656  -2.721   1.049  1.00  0.00           C  
HETATM   22  C   UNL     1       9.486  -0.627  -1.726  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.421  -3.019   0.144  1.00  0.00           C  
HETATM   24  C   UNL     1       0.486   2.970   0.737  1.00  0.00           C  
HETATM   25  C   UNL     1       4.226   0.345   1.156  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.403  -0.047   1.253  1.00  0.00           C  
HETATM   27  C   UNL     1       3.107  -2.542   1.566  1.00  0.00           C  
HETATM   28  C   UNL     1       7.240   1.128   1.705  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.981   0.125  -2.694  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.268   2.862   1.339  1.00  0.00           C  
HETATM   31  N   UNL     1       2.093   0.472  -0.250  1.00  0.00           N  
HETATM   32  N   UNL     1       5.293  -0.706  -0.842  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.248   1.442   0.318  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.292  -0.332  -0.161  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.112   0.001  -1.456  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.547  -3.933   0.955  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.534  -4.111   1.847  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.372  -4.744   0.077  1.00  0.00           O  
HETATM   39  O   UNL     1       6.765  -1.458  -2.426  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.027   2.327  -0.828  1.00  0.00           O  
HETATM   41  C   UNL     1       1.376   4.162   0.498  1.00  0.00           C  
HETATM   42  O   UNL     1       1.186   4.877  -0.458  1.00  0.00           O  
HETATM   43  O   UNL     1       2.381   4.430   1.347  1.00  0.00           O  
HETATM   44  H   UNL     1      -8.173  -0.485  -0.990  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.133  -2.760  -1.040  1.00  0.00           H  
HETATM   46  H   UNL     1       0.982  -3.662   0.014  1.00  0.00           H  
HETATM   47  H   UNL     1       9.486   0.467   0.070  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.716  -2.315  -1.766  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.548  -2.128  -0.437  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.078   2.791  -1.335  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.171   3.803  -0.361  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.145  -2.720   2.012  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.260  -1.818   0.958  1.00  0.00           H  
HETATM   54  H   UNL     1       8.894  -1.160  -2.455  1.00  0.00           H  
HETATM   55  H   UNL     1      10.556  -0.546  -1.854  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.072  -4.038  -0.019  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.304  -2.758   1.196  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.473  -2.945  -0.133  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.007   3.073   1.703  1.00  0.00           H  
HETATM   60  H   UNL     1       1.086   2.061   0.729  1.00  0.00           H  
HETATM   61  H   UNL     1       4.377  -0.078   2.149  1.00  0.00           H  
HETATM   62  H   UNL     1       4.153   1.430   1.231  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.333  -1.119   1.438  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.535   0.477   2.200  1.00  0.00           H  
HETATM   65  H   UNL     1       3.782  -3.125   0.940  1.00  0.00           H  
HETATM   66  H   UNL     1       3.667  -2.097   2.389  1.00  0.00           H  
HETATM   67  H   UNL     1       2.330  -3.194   1.967  1.00  0.00           H  
HETATM   68  H   UNL     1       7.491   0.449   2.519  1.00  0.00           H  
HETATM   69  H   UNL     1       8.128   1.688   1.411  1.00  0.00           H  
HETATM   70  H   UNL     1       6.467   1.821   2.036  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.031   0.630  -2.872  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.942  -0.880  -3.114  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.786   0.687  -3.168  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.880   2.913   2.356  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.020   3.782   0.809  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.351   2.741   1.369  1.00  0.00           H  
HETATM   77  H   UNL     1       2.198   1.390  -0.545  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.021   2.208   0.869  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.403  -1.276  -0.355  1.00  0.00           H  
HETATM   80  H   UNL     1       0.174   0.806  -2.133  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.410  -0.873  -2.035  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.079  -4.903   1.746  1.00  0.00           H  
HETATM   83  H   UNL     1       2.925   5.206   1.152  1.00  0.00           H  
CONECT    1    5    5   35   31                                       
CONECT    2   32   32   25    6                                       
CONECT    3   33    7   40   40                                       
CONECT    4    8    8   34   26                                       
CONECT    5   17    9    1    1                                       
CONECT    6    2   10   10   28                                       
CONECT    7   11    3   29   44                                       
CONECT    8   30   12    4    4                                       
CONECT    9   27    5   13   13                                       
CONECT   10   14    6    6   18                                       
CONECT   11   15   15   19    7                                       
CONECT   12   20    8   16   16                                       
CONECT   13    9    9   25   31                                       
CONECT   14   32   39   39   10                                       
CONECT   15   26   33   11   11                                       
CONECT   16   12   12   35   34                                       
CONECT   17   21    5   45   46                                       
CONECT   18   10   22   22   47                                       
CONECT   19   11   23   48   49                                       
CONECT   20   24   12   50   51                                       
CONECT   21   17   36   52   53                                       
CONECT   22   18   18   54   55                                       
CONECT   23   19   56   57   58                                       
CONECT   24   41   20   59   60                                       
CONECT   25   13    2   61   62                                       
CONECT   26    4   15   63   64                                       
CONECT   27    9   65   66   67                                       
CONECT   28    6   68   69   70                                       
CONECT   29    7   71   72   73                                       
CONECT   30    8   74   75   76                                       
CONECT   31    1   13   77                                            
CONECT   32   14    2    2                                            
CONECT   33   15    3   78                                            
CONECT   34   16    4   79                                            
CONECT   35    1   16   80   81                                       
CONECT   36   21   38   38   37                                       
CONECT   37   36   82                                                 
CONECT   38   36   36                                                 
CONECT   39   14   14                                                 
CONECT   40    3    3                                                 
CONECT   41   42   42   43   24                                       
CONECT   42   41   41                                                 
CONECT   43   41   83                                                 
CONECT   44    7                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
