COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.728  -1.023   0.241  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.877   0.124   0.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.417  -0.326   0.363  1.00  0.00           C  
HETATM    4  O   UNL     1       2.812   1.584   0.175  1.00  0.00           O  
HETATM    5  C   UNL     1       4.149   1.352   0.118  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.190  -1.023   1.590  1.00  0.00           O  
HETATM    7  C   UNL     1       0.498   0.898   0.296  1.00  0.00           C  
HETATM    8  C   UNL     1       1.958   0.441   0.238  1.00  0.00           C  
HETATM    9  H   UNL     1      -2.029   0.732  -0.598  1.00  0.00           H  
HETATM   10  H   UNL     1      -2.118   0.713   1.180  1.00  0.00           H  
HETATM   11  H   UNL     1      -0.201  -0.988  -0.476  1.00  0.00           H  
HETATM   12  H   UNL     1      -0.363  -0.494   2.381  1.00  0.00           H  
HETATM   13  H   UNL     1       0.264   1.478  -0.597  1.00  0.00           H  
HETATM   14  H   UNL     1       0.345   1.515   1.181  1.00  0.00           H  
HETATM   15  H   UNL     1       2.111  -0.176  -0.647  1.00  0.00           H  
HETATM   16  H   UNL     1       2.192  -0.139   1.130  1.00  0.00           H  
HETATM   17  C   UNL     1       5.036   2.420   0.055  1.00  0.00           C  
HETATM   18  C   UNL     1       6.393   2.189  -0.002  1.00  0.00           C  
HETATM   19  C   UNL     1       6.877   0.879   0.004  1.00  0.00           C  
HETATM   20  C   UNL     1       5.982  -0.192   0.067  1.00  0.00           C  
HETATM   21  C   UNL     1       4.627   0.048   0.130  1.00  0.00           C  
HETATM   22  C   UNL     1       8.331   0.626  -0.058  1.00  0.00           C  
HETATM   23  N   UNL     1       8.915  -0.610  -0.059  1.00  0.00           N  
HETATM   24  C   UNL     1      10.283  -0.412  -0.127  1.00  0.00           C  
HETATM   25  C   UNL     1      10.475   0.983  -0.166  1.00  0.00           C  
HETATM   26  N   UNL     1       9.256   1.555  -0.127  1.00  0.00           N  
HETATM   27  C   UNL     1      11.776   1.501  -0.238  1.00  0.00           C  
HETATM   28  C   UNL     1      12.846   0.660  -0.270  1.00  0.00           C  
HETATM   29  C   UNL     1      12.661  -0.729  -0.231  1.00  0.00           C  
HETATM   30  C   UNL     1      11.373  -1.262  -0.160  1.00  0.00           C  
HETATM   31  C   UNL     1      13.828  -1.628  -0.266  1.00  0.00           C  
HETATM   32  O   UNL     1      15.072  -1.115  -0.336  1.00  0.00           O  
HETATM   33  O   UNL     1      13.669  -2.832  -0.233  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.065  -0.796   0.176  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.948  -1.868   0.121  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.305  -1.642   0.056  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.794  -0.334   0.045  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.904   0.741   0.101  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.548   0.507   0.171  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.250  -0.087  -0.025  1.00  0.00           C  
HETATM   41  N   UNL     1      -8.839   1.149  -0.042  1.00  0.00           N  
HETATM   42  C   UNL     1     -10.201   0.953  -0.113  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.396  -0.442  -0.139  1.00  0.00           C  
HETATM   44  N   UNL     1      -9.169  -1.018  -0.088  1.00  0.00           N  
HETATM   45  C   UNL     1     -11.692  -0.954  -0.210  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.773  -0.078  -0.256  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.560   1.307  -0.230  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.294   1.811  -0.159  1.00  0.00           C  
HETATM   49  C   UNL     1     -14.147  -0.610  -0.332  1.00  0.00           C  
HETATM   50  O   UNL     1     -14.334  -1.811  -0.354  1.00  0.00           O  
HETATM   51  O   UNL     1     -15.196   0.235  -0.376  1.00  0.00           O  
HETATM   52  H   UNL     1       4.661   3.433   0.051  1.00  0.00           H  
HETATM   53  H   UNL     1       7.081   3.019  -0.052  1.00  0.00           H  
HETATM   54  H   UNL     1       6.353  -1.206   0.072  1.00  0.00           H  
HETATM   55  H   UNL     1       3.935  -0.780   0.179  1.00  0.00           H  
HETATM   56  H   UNL     1       8.458  -1.464  -0.019  1.00  0.00           H  
HETATM   57  H   UNL     1      11.929   2.570  -0.269  1.00  0.00           H  
HETATM   58  H   UNL     1      13.845   1.066  -0.326  1.00  0.00           H  
HETATM   59  H   UNL     1      11.229  -2.332  -0.130  1.00  0.00           H  
HETATM   60  H   UNL     1      15.807  -1.744  -0.356  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.569  -2.879   0.129  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.991  -2.475   0.012  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.278   1.754   0.093  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.859   1.337   0.215  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.382   2.004  -0.009  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.855  -2.021  -0.231  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.404   1.980  -0.266  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.141   2.880  -0.140  1.00  0.00           H  
HETATM   69  H   UNL     1     -16.077  -0.160  -0.425  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    3    1    9   10                                       
CONECT    3    6    2    7   11                                       
CONECT    4    5    8                                                 
CONECT    5    4   17   21   21                                       
CONECT    6    3   12                                                 
CONECT    7    8    3   13   14                                       
CONECT    8    4    7   15   16                                       
CONECT    9    2                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    6                                                      
CONECT   13    7                                                      
CONECT   14    7                                                      
CONECT   15    8                                                      
CONECT   16    8                                                      
CONECT   17    5   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   54                                       
CONECT   21   20    5    5   55                                       
CONECT   22   19   23   26   26                                       
CONECT   23   22   24   56                                            
CONECT   24   23   25   25   30                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   22   22                                            
CONECT   27   25   28   28   57                                       
CONECT   28   27   27   29   58                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   24   59                                       
CONECT   31   29   32   33   33                                       
CONECT   32   31   60                                                 
CONECT   33   31   31                                                 
CONECT   34    1   35   39   39                                       
CONECT   35   34   36   36   61                                       
CONECT   36   35   35   37   62                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37   39   63                                       
CONECT   39   38   34   34   64                                       
CONECT   40   37   41   44   44                                       
CONECT   41   40   42   65                                            
CONECT   42   41   43   43   48                                       
CONECT   43   42   42   44   45                                       
CONECT   44   43   40   40                                            
CONECT   45   43   46   46   66                                       
CONECT   46   45   45   47   49                                       
CONECT   47   46   48   48   67                                       
CONECT   48   47   47   42   68                                       
CONECT   49   46   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   69                                                 
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   41                                                      
CONECT   66   45                                                      
CONECT   67   47                                                      
CONECT   68   48                                                      
CONECT   69   51                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
