COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.266  -1.099   0.132  1.00  0.00           C  
HETATM    2  C   UNL     1       3.556  -5.572   0.494  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.637  -2.442   0.135  1.00  0.00           C  
HETATM    4  C   UNL     1       2.362  -3.288  -0.754  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.044   1.303   0.225  1.00  0.00           C  
HETATM    6  C   UNL     1       3.967  -5.448  -1.889  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.197   2.507   0.326  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.466   0.041   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       0.982   3.579   0.520  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.795  -4.831   0.047  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.417  -3.601   0.041  1.00  0.00           C  
HETATM   12  C   UNL     1       3.876  -3.421  -0.568  1.00  0.00           C  
HETATM   13  C   UNL     1       0.295  -3.860   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1       2.321   5.297  -3.532  1.00  0.00           C  
HETATM   15  C   UNL     1       2.912   4.940  -2.166  1.00  0.00           C  
HETATM   16  C   UNL     1       2.622   3.471  -1.854  1.00  0.00           C  
HETATM   17  C   UNL     1       3.204   3.119  -0.509  1.00  0.00           C  
HETATM   18  C   UNL     1       4.549   2.741  -0.396  1.00  0.00           C  
HETATM   19  C   UNL     1       5.063   2.427   0.817  1.00  0.00           C  
HETATM   20  C   UNL     1       6.510   2.022   0.931  1.00  0.00           C  
HETATM   21  C   UNL     1       2.994   2.837   1.855  1.00  0.00           C  
HETATM   22  C   UNL     1       2.429   3.170   0.612  1.00  0.00           C  
HETATM   23  C   UNL     1       2.043  -5.440   0.308  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.252  -2.583   0.226  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.647  -0.985   0.030  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.245   0.270   0.026  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.449   1.427   0.126  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.325   2.533   0.097  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.729  -0.161  -0.177  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.652   0.077   1.020  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.475   0.171  -1.471  1.00  0.00           C  
HETATM   32  N   UNL     1       4.289   2.472   1.931  1.00  0.00           N  
HETATM   33  N   UNL     1       0.141   2.383   0.420  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.482  -4.929   0.140  1.00  0.00           N  
HETATM   35  N   UNL     1       1.673  -4.017   0.320  1.00  0.00           N  
HETATM   36  N   UNL     1       4.245  -4.843  -0.580  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.548   2.096  -0.007  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.547   0.697  -0.060  1.00  0.00           N  
HETATM   39  O   UNL     1       2.312   2.878   2.866  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.708   3.610   0.324  1.00  0.00           O  
HETATM   41  H   UNL     1       3.842  -5.154   1.459  1.00  0.00           H  
HETATM   42  H   UNL     1       3.836  -6.625   0.457  1.00  0.00           H  
HETATM   43  H   UNL     1       2.082  -2.235  -0.716  1.00  0.00           H  
HETATM   44  H   UNL     1       2.076  -3.706  -1.719  1.00  0.00           H  
HETATM   45  H   UNL     1       2.895  -5.422  -2.081  1.00  0.00           H  
HETATM   46  H   UNL     1       4.489  -4.889  -2.666  1.00  0.00           H  
HETATM   47  H   UNL     1       4.312  -6.483  -1.892  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.393  -0.059   0.302  1.00  0.00           H  
HETATM   49  H   UNL     1       0.706   4.144   1.410  1.00  0.00           H  
HETATM   50  H   UNL     1       0.836   4.201  -0.364  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.392  -5.729  -0.020  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.492  -3.531  -0.034  1.00  0.00           H  
HETATM   53  H   UNL     1       4.389  -2.905  -1.380  1.00  0.00           H  
HETATM   54  H   UNL     1       4.165  -2.978   0.385  1.00  0.00           H  
HETATM   55  H   UNL     1       2.527   6.344  -3.754  1.00  0.00           H  
HETATM   56  H   UNL     1       2.772   4.667  -4.298  1.00  0.00           H  
HETATM   57  H   UNL     1       1.243   5.135  -3.515  1.00  0.00           H  
HETATM   58  H   UNL     1       3.990   5.102  -2.183  1.00  0.00           H  
HETATM   59  H   UNL     1       2.461   5.570  -1.399  1.00  0.00           H  
HETATM   60  H   UNL     1       1.544   3.308  -1.837  1.00  0.00           H  
HETATM   61  H   UNL     1       3.073   2.841  -2.621  1.00  0.00           H  
HETATM   62  H   UNL     1       5.175   2.700  -1.275  1.00  0.00           H  
HETATM   63  H   UNL     1       7.123   2.907   1.101  1.00  0.00           H  
HETATM   64  H   UNL     1       6.629   1.331   1.765  1.00  0.00           H  
HETATM   65  H   UNL     1       6.825   1.534   0.008  1.00  0.00           H  
HETATM   66  H   UNL     1       1.753  -5.883  -0.645  1.00  0.00           H  
HETATM   67  H   UNL     1       1.530  -5.955   1.120  1.00  0.00           H  
HETATM   68  H   UNL     1       0.385  -1.714   0.295  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.257  -1.873  -0.048  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.031   3.570   0.158  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.419  -1.206  -0.195  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.531  -0.562   0.933  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.120  -0.160   1.941  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.962   1.121   1.038  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.785   1.216  -1.453  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.817   0.002  -2.323  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.354  -0.467  -1.557  1.00  0.00           H  
HETATM   78  H   UNL     1       0.548   1.503   0.421  1.00  0.00           H  
HETATM   79  H   UNL     1       4.673   2.244   2.792  1.00  0.00           H  
CONECT    1    8    8   25    3                                       
CONECT    2   23   36   41   42                                       
CONECT    3    1   11   11   24                                       
CONECT    4   35   12   43   44                                       
CONECT    5    7   27   27    8                                       
CONECT    6   36   45   46   47                                       
CONECT    7   40   40   33    5                                       
CONECT    8    5    1    1   48                                       
CONECT    9   22   33   49   50                                       
CONECT   10   11   34   34   51                                       
CONECT   11    3    3   10   52                                       
CONECT   12    4   36   53   54                                       
CONECT   13   24   24   34   35                                       
CONECT   14   15   55   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   62                                       
CONECT   19   18   18   20   32                                       
CONECT   20   19   63   64   65                                       
CONECT   21   22   32   39   39                                       
CONECT   22   17   17   21    9                                       
CONECT   23   35    2   66   67                                       
CONECT   24    3   13   13   68                                       
CONECT   25   26   26    1   69                                       
CONECT   26   27   38   25   25                                       
CONECT   27   28    5    5   26                                       
CONECT   28   37   37   27   70                                       
CONECT   29   38   31   30   71                                       
CONECT   30   29   72   73   74                                       
CONECT   31   29   75   76   77                                       
CONECT   32   19   21   79                                            
CONECT   33    9    7   78                                            
CONECT   34   10   10   13                                            
CONECT   35   13   23    4                                            
CONECT   36    2   12    6                                            
CONECT   37   28   28   38                                            
CONECT   38   37   26   29                                            
CONECT   39   21   21                                                 
CONECT   40    7    7                                                 
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   32                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
