COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.152   2.910   0.260  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.338   1.416   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.760  -0.394   0.040  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.093  -0.014  -0.187  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.472   0.456  -0.418  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.926   0.859   0.987  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.549   0.913   0.083  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.061  -0.876  -0.097  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.351  -0.480  -0.319  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.890   1.184  -0.150  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.097   1.837   0.884  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.258   1.167   0.146  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.805   0.765  -1.258  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.633  -0.214  -1.156  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.701  -1.291   0.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.954  -2.776   0.081  1.00  0.00           C  
HETATM   17  C   UNL     1       0.585  -0.806   0.267  1.00  0.00           C  
HETATM   18  C   UNL     1       1.758  -1.746   0.370  1.00  0.00           C  
HETATM   19  C   UNL     1       2.881  -3.286  -1.082  1.00  0.00           C  
HETATM   20  O   UNL     1       1.632  -2.775  -0.614  1.00  0.00           O  
HETATM   21  C   UNL     1       2.627  -4.376  -2.127  1.00  0.00           C  
HETATM   22  C   UNL     1       3.692  -2.153  -1.715  1.00  0.00           C  
HETATM   23  C   UNL     1       3.662  -3.879   0.092  1.00  0.00           C  
HETATM   24  C   UNL     1       1.785  -2.366   1.744  1.00  0.00           C  
HETATM   25  O   UNL     1       1.999  -1.597   2.823  1.00  0.00           O  
HETATM   26  O   UNL     1       1.615  -3.555   1.873  1.00  0.00           O  
HETATM   27  C   UNL     1       0.771   0.580   0.310  1.00  0.00           C  
HETATM   28  C   UNL     1       2.133   1.152   0.452  1.00  0.00           C  
HETATM   29  C   UNL     1       2.661   1.395   1.719  1.00  0.00           C  
HETATM   30  C   UNL     1       3.925   1.927   1.845  1.00  0.00           C  
HETATM   31  C   UNL     1       4.680   2.223   0.712  1.00  0.00           C  
HETATM   32  C   UNL     1       4.159   1.980  -0.548  1.00  0.00           C  
HETATM   33  C   UNL     1       2.891   1.442  -0.678  1.00  0.00           C  
HETATM   34  C   UNL     1       2.327   1.175  -2.050  1.00  0.00           C  
HETATM   35  O   UNL     1       5.920   2.751   0.883  1.00  0.00           O  
HETATM   36  C   UNL     1       6.823   2.707  -0.222  1.00  0.00           C  
HETATM   37  C   UNL     1       6.094   3.240  -1.463  1.00  0.00           C  
HETATM   38  C   UNL     1       4.949   2.281  -1.796  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.008   3.289  -0.752  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.036   3.374   0.698  1.00  0.00           H  
HETATM   41  H   UNL     1       0.721   3.150   0.866  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.158   1.344  -0.966  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.241  -0.029   1.536  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.099   1.337   1.513  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.223  -1.832  -0.126  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.513  -1.436  -0.349  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.420   2.124   1.885  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.783   2.725   0.336  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.573   0.279   0.695  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.093   1.864   0.073  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.632   0.287  -1.784  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.490   1.652  -1.807  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.310  -0.501  -2.156  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.948  -1.102  -0.607  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.911  -3.117  -0.954  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.195  -3.295   0.666  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.940  -2.991   0.493  1.00  0.00           H  
HETATM   58  H   UNL     1       2.682  -1.194   0.202  1.00  0.00           H  
HETATM   59  H   UNL     1       2.049  -5.183  -1.676  1.00  0.00           H  
HETATM   60  H   UNL     1       2.070  -3.954  -2.964  1.00  0.00           H  
HETATM   61  H   UNL     1       3.580  -4.766  -2.484  1.00  0.00           H  
HETATM   62  H   UNL     1       4.645  -2.544  -2.072  1.00  0.00           H  
HETATM   63  H   UNL     1       3.135  -1.731  -2.551  1.00  0.00           H  
HETATM   64  H   UNL     1       3.873  -1.378  -0.971  1.00  0.00           H  
HETATM   65  H   UNL     1       3.085  -4.686   0.543  1.00  0.00           H  
HETATM   66  H   UNL     1       4.615  -4.269  -0.265  1.00  0.00           H  
HETATM   67  H   UNL     1       3.844  -3.103   0.836  1.00  0.00           H  
HETATM   68  H   UNL     1       2.008  -2.039   3.682  1.00  0.00           H  
HETATM   69  H   UNL     1       2.079   1.168   2.601  1.00  0.00           H  
HETATM   70  H   UNL     1       4.333   2.116   2.826  1.00  0.00           H  
HETATM   71  H   UNL     1       1.795   2.059  -2.403  1.00  0.00           H  
HETATM   72  H   UNL     1       3.139   0.941  -2.738  1.00  0.00           H  
HETATM   73  H   UNL     1       1.638   0.332  -2.001  1.00  0.00           H  
HETATM   74  H   UNL     1       7.692   3.330  -0.011  1.00  0.00           H  
HETATM   75  H   UNL     1       7.140   1.679  -0.396  1.00  0.00           H  
HETATM   76  H   UNL     1       5.694   4.233  -1.255  1.00  0.00           H  
HETATM   77  H   UNL     1       6.787   3.291  -2.302  1.00  0.00           H  
HETATM   78  H   UNL     1       5.358   1.355  -2.199  1.00  0.00           H  
HETATM   79  H   UNL     1       4.295   2.741  -2.537  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    7    1   27   27                                       
CONECT    3    8    7    7   15                                       
CONECT    4    9   10   10    8                                       
CONECT    5    6    9   14   42                                       
CONECT    6   11    5   43   44                                       
CONECT    7    3    3    2                                            
CONECT    8    4    3   45                                            
CONECT    9    5    4   46                                            
CONECT   10    4    4                                                 
CONECT   11    6   12   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14    5   13   53   54                                       
CONECT   15    3   16   17   17                                       
CONECT   16   15   55   56   57                                       
CONECT   17   15   15   27   18                                       
CONECT   18   20   17   24   58                                       
CONECT   19   21   22   23   20                                       
CONECT   20   19   18                                                 
CONECT   21   19   59   60   61                                       
CONECT   22   19   62   63   64                                       
CONECT   23   19   65   66   67                                       
CONECT   24   18   26   26   25                                       
CONECT   25   24   68                                                 
CONECT   26   24   24                                                 
CONECT   27    2    2   17   28                                       
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   35   32   32                                       
CONECT   32   31   31   33   38                                       
CONECT   33   28   28   32   34                                       
CONECT   34   33   71   72   73                                       
CONECT   35   31   36                                                 
CONECT   36   35   37   74   75                                       
CONECT   37   36   38   76   77                                       
CONECT   38   32   37   78   79                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
