COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.315   3.904  -1.636  1.00  0.00           C  
HETATM    2  C   UNL     1       6.056   2.238  -0.218  1.00  0.00           C  
HETATM    3  C   UNL     1       2.960  -0.799   1.758  1.00  0.00           C  
HETATM    4  C   UNL     1       1.535  -1.358   1.640  1.00  0.00           C  
HETATM    5  C   UNL     1       1.477  -2.220   0.403  1.00  0.00           C  
HETATM    6  C   UNL     1       2.420  -2.181  -0.575  1.00  0.00           C  
HETATM    7  C   UNL     1       3.622  -1.271  -0.534  1.00  0.00           C  
HETATM    8  C   UNL     1       2.059  -3.100  -1.556  1.00  0.00           C  
HETATM    9  C   UNL     1       2.823  -3.388  -2.822  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.640  -3.487   0.819  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.804  -2.586   0.401  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082  -2.771  -1.092  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.246  -1.870  -1.509  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.744  -1.085  -0.294  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.216  -2.060   0.786  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.052  -2.961   1.203  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.606  -0.224   0.258  1.00  0.00           C  
HETATM   18  N   UNL     1       6.247   2.933  -1.382  1.00  0.00           N  
HETATM   19  N   UNL     1       5.248   2.557  -2.287  1.00  0.00           N  
HETATM   20  C   UNL     1       4.465   1.675  -1.735  1.00  0.00           C  
HETATM   21  C   UNL     1       4.924   1.429  -0.421  1.00  0.00           C  
HETATM   22  C   UNL     1       4.485   0.592   0.625  1.00  0.00           C  
HETATM   23  C   UNL     1       5.201   0.610   1.816  1.00  0.00           C  
HETATM   24  C   UNL     1       6.305   1.436   1.935  1.00  0.00           C  
HETATM   25  C   UNL     1       7.074   1.453   3.231  1.00  0.00           C  
HETATM   26  N   UNL     1       6.695   2.213   0.947  1.00  0.00           N  
HETATM   27  N   UNL     1       3.373  -0.223   0.471  1.00  0.00           N  
HETATM   28  N   UNL     1       0.939  -3.672  -1.184  1.00  0.00           N  
HETATM   29  N   UNL     1       0.555  -3.128   0.051  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.859  -0.222  -0.694  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.442  -1.125   0.675  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.460   0.567   0.218  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.079   0.564   1.369  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.607   1.454  -0.194  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.061   2.716  -0.868  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.149   3.588  -1.189  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.925   3.981  -0.054  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.489   2.733   0.629  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.382   1.838   0.996  1.00  0.00           N  
HETATM   40  H   UNL     1       8.182   3.390  -2.050  1.00  0.00           H  
HETATM   41  H   UNL     1       6.963   4.653  -2.345  1.00  0.00           H  
HETATM   42  H   UNL     1       7.593   4.391  -0.701  1.00  0.00           H  
HETATM   43  H   UNL     1       2.984  -0.026   2.526  1.00  0.00           H  
HETATM   44  H   UNL     1       3.643  -1.604   2.030  1.00  0.00           H  
HETATM   45  H   UNL     1       1.299  -1.957   2.519  1.00  0.00           H  
HETATM   46  H   UNL     1       0.823  -0.537   1.552  1.00  0.00           H  
HETATM   47  H   UNL     1       4.508  -1.843  -0.257  1.00  0.00           H  
HETATM   48  H   UNL     1       3.770  -0.814  -1.513  1.00  0.00           H  
HETATM   49  H   UNL     1       3.541  -4.188  -2.640  1.00  0.00           H  
HETATM   50  H   UNL     1       2.128  -3.695  -3.604  1.00  0.00           H  
HETATM   51  H   UNL     1       3.353  -2.490  -3.140  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.442  -3.355   1.883  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.898  -4.528   0.624  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.193  -2.504  -1.663  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.340  -3.812  -1.287  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.910  -1.175  -2.278  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.057  -2.484  -1.903  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.571  -1.501   1.651  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.027  -2.674   0.392  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.310  -4.002   1.008  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.854  -2.829   2.267  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.270   0.471  -0.511  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.961   0.336   1.123  1.00  0.00           H  
HETATM   64  H   UNL     1       3.610   1.210  -2.203  1.00  0.00           H  
HETATM   65  H   UNL     1       4.897  -0.016   2.643  1.00  0.00           H  
HETATM   66  H   UNL     1       6.651   2.209   3.894  1.00  0.00           H  
HETATM   67  H   UNL     1       7.007   0.475   3.707  1.00  0.00           H  
HETATM   68  H   UNL     1       8.119   1.689   3.030  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.164  -0.220  -1.615  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.244  -0.993   1.739  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.553  -0.858   0.104  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.251   0.918  -0.891  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.375   3.223  -0.190  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.533   2.440  -1.781  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.293   4.526   0.648  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.745   4.622  -0.378  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.034   3.024   1.527  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.164   2.218  -0.054  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.789   2.262   1.692  1.00  0.00           H  
CONECT    1   18   40   41   42                                       
CONECT    2   26   18   21   21                                       
CONECT    3   27    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    6    6    4   29                                       
CONECT    6    7    8    5    5                                       
CONECT    7   27    6   47   48                                       
CONECT    8    9    6   28   28                                       
CONECT    9    8   49   50   51                                       
CONECT   10   29   11   52   53                                       
CONECT   11   12   10   31   16                                       
CONECT   12   13   11   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   17   30   15                                       
CONECT   15   14   16   58   59                                       
CONECT   16   11   15   60   61                                       
CONECT   17   31   14   62   63                                       
CONECT   18    1    2   19                                            
CONECT   19   18   20   20                                            
CONECT   20   21   19   19   64                                       
CONECT   21    2    2   22   20                                       
CONECT   22   23   23   21   27                                       
CONECT   23   24   22   22   65                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   24    2                                            
CONECT   27   22    7    3                                            
CONECT   28    8    8   29                                            
CONECT   29   28    5   10                                            
CONECT   30   14   32   69                                            
CONECT   31   11   17   70   71                                       
CONECT   32   30   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   39   32   35   72                                       
CONECT   35   36   34   73   74                                       
CONECT   36   37   35                                                 
CONECT   37   38   36   75   76                                       
CONECT   38   39   37   77   78                                       
CONECT   39   38   34   79                                            
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
