COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.121   0.163   3.286  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.247   1.187   4.267  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.969  -1.272  10.331  1.00  0.00           N  
HETATM    4  N   UNL     1       0.197  -0.482  10.301  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.939  -0.625   9.701  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.053   0.634   5.680  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.437   1.704   6.704  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.243   1.151   8.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.130  -0.080   8.309  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.745  -1.150   7.285  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.940  -0.597   5.872  1.00  0.00           C  
HETATM   12  C   UNL     1       2.601   0.832  -0.308  1.00  0.00           C  
HETATM   13  N   UNL     1       1.331   0.613  -1.014  1.00  0.00           N  
HETATM   14  C   UNL     1       0.915   0.971  -2.227  1.00  0.00           C  
HETATM   15  O   UNL     1       1.560   1.593  -3.048  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.349   0.522  -2.387  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.738  -0.125  -1.267  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.820  -0.648  -1.085  1.00  0.00           O  
HETATM   19  N   UNL     1       0.269  -0.090  -0.397  1.00  0.00           N  
HETATM   20  C   UNL     1       0.408  -0.626   0.960  1.00  0.00           C  
HETATM   21  C   UNL     1       1.856  -1.019   1.147  1.00  0.00           C  
HETATM   22  C   UNL     1       2.835  -0.369   0.578  1.00  0.00           C  
HETATM   23  C   UNL     1       0.029   0.427   1.968  1.00  0.00           C  
HETATM   24  C   UNL     1       4.250  -0.829   0.820  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.357   1.514   1.593  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.169   0.709  -3.587  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.947  -0.462  -4.544  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.339   0.081  -8.042  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.533   1.109  -7.588  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.759   0.933  -6.457  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.791  -0.270  -5.778  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.592  -1.300  -6.234  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.369  -1.123  -7.364  1.00  0.00           C  
HETATM   34  C   UNL     1       3.174  -0.633  -5.652  1.00  0.00           C  
HETATM   35  C   UNL     1       2.570  -1.730  -5.065  1.00  0.00           C  
HETATM   36  C   UNL     1       1.236  -1.675  -4.707  1.00  0.00           C  
HETATM   37  C   UNL     1       0.507  -0.523  -4.935  1.00  0.00           C  
HETATM   38  C   UNL     1       1.109   0.571  -5.526  1.00  0.00           C  
HETATM   39  C   UNL     1       2.445   0.517  -5.880  1.00  0.00           C  
HETATM   40  H   UNL     1       0.430  -0.705   3.586  1.00  0.00           H  
HETATM   41  H   UNL     1       0.384   2.065   4.130  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.291   1.466   4.126  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.846  -1.622  11.227  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.822  -1.379   9.881  1.00  0.00           H  
HETATM   45  H   UNL     1       0.320  -0.832  11.197  1.00  0.00           H  
HETATM   46  H   UNL     1       0.991   0.355   5.821  1.00  0.00           H  
HETATM   47  H   UNL     1       0.194   2.582   6.567  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.482   1.983   6.563  1.00  0.00           H  
HETATM   49  H   UNL     1       0.800   0.872   8.258  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.517   1.913   8.846  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.175   0.198   8.168  1.00  0.00           H  
HETATM   52  H   UNL     1       0.298  -1.429   7.426  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.377  -2.028   7.422  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.984  -0.318   5.731  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.666  -1.359   5.142  1.00  0.00           H  
HETATM   56  H   UNL     1       2.539   1.739   0.293  1.00  0.00           H  
HETATM   57  H   UNL     1       3.415   0.919  -1.028  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.230  -1.500   1.080  1.00  0.00           H  
HETATM   59  H   UNL     1       2.088  -1.867   1.774  1.00  0.00           H  
HETATM   60  H   UNL     1       4.242  -1.697   1.480  1.00  0.00           H  
HETATM   61  H   UNL     1       4.711  -1.099  -0.129  1.00  0.00           H  
HETATM   62  H   UNL     1       4.820  -0.024   1.284  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.221   0.752  -3.304  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.887   1.639  -4.079  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.230  -1.393  -4.052  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.944   0.219  -8.925  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.509   2.050  -8.118  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.130   1.736  -6.102  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.616  -2.241  -5.705  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.999  -1.926  -7.718  1.00  0.00           H  
HETATM   71  H   UNL     1       4.217  -0.676  -5.931  1.00  0.00           H  
HETATM   72  H   UNL     1       3.140  -2.629  -4.887  1.00  0.00           H  
HETATM   73  H   UNL     1       0.764  -2.531  -4.249  1.00  0.00           H  
HETATM   74  H   UNL     1       0.539   1.471  -5.705  1.00  0.00           H  
HETATM   75  H   UNL     1       2.917   1.374  -6.338  1.00  0.00           H  
CONECT    1    2   23   40                                            
CONECT    2    1    6   41   42                                       
CONECT    3    5   43   44                                            
CONECT    4    5    5   45                                            
CONECT    5    3    4    4    9                                       
CONECT    6    2    7   11   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    5    8   10   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11    6   10   54   55                                       
CONECT   12   13   22   56   57                                       
CONECT   13   12   14   19                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   26                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   13   17   20                                            
CONECT   20   19   21   23   58                                       
CONECT   21   20   22   22   59                                       
CONECT   22   12   21   21   24                                       
CONECT   23    1   20   25   25                                       
CONECT   24   22   60   61   62                                       
CONECT   25   23   23                                                 
CONECT   26   16   27   63   64                                       
CONECT   27   26   31   37   65                                       
CONECT   28   29   29   33   66                                       
CONECT   29   28   28   30   67                                       
CONECT   30   29   31   31   68                                       
CONECT   31   27   30   30   32                                       
CONECT   32   31   33   33   69                                       
CONECT   33   28   32   32   70                                       
CONECT   34   35   35   39   71                                       
CONECT   35   34   34   36   72                                       
CONECT   36   35   37   37   73                                       
CONECT   37   27   36   36   38                                       
CONECT   38   37   39   39   74                                       
CONECT   39   34   38   38   75                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
