COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.626  -0.026  -0.408  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.873  -0.091   0.477  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.396  -0.195   0.445  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.505  -0.352   1.642  1.00  0.00           O  
HETATM    5  N   UNL     1      -1.174  -0.172  -0.124  1.00  0.00           N  
HETATM    6  CA  UNL     1       0.023  -0.336   0.706  1.00  0.00           C  
HETATM    7  C   UNL     1       0.305  -1.827   0.904  1.00  0.00           C  
HETATM    8  O   UNL     1       0.632  -2.421  -0.353  1.00  0.00           O  
HETATM    9  C   UNL     1       1.200   0.311   0.023  1.00  0.00           C  
HETATM   10  O   UNL     1       1.054   0.856  -1.051  1.00  0.00           O  
HETATM   11  N   UNL     1       2.415   0.285   0.605  1.00  0.00           N  
HETATM   12  C   UNL     1       3.559   0.914  -0.059  1.00  0.00           C  
HETATM   13  C   UNL     1       4.854   0.254   0.421  1.00  0.00           C  
HETATM   14  C   UNL     1       4.846  -1.226   0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       6.194  -1.855   0.391  1.00  0.00           C  
HETATM   16  O   UNL     1       3.803  -1.899   0.741  1.00  0.00           O  
HETATM   17  C   UNL     1       4.607  -1.357  -1.473  1.00  0.00           C  
HETATM   18  O   UNL     1       4.951   0.373   1.841  1.00  0.00           O  
HETATM   19  C   UNL     1       3.591   2.405   0.282  1.00  0.00           C  
HETATM   20  C   UNL     1       2.355   3.089  -0.306  1.00  0.00           C  
HETATM   21  C   UNL     1       2.321   4.552   0.139  1.00  0.00           C  
HETATM   22  C   UNL     1       2.414   3.022  -1.834  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.123   0.080  -0.389  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.369   0.015   0.495  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.619   0.187  -0.370  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.741  -0.999  -1.330  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.857   0.247   0.527  1.00  0.00           C  
HETATM   28  O   UNL     1       4.599  -2.739  -1.836  1.00  0.00           O  
HETATM   29  H   UNL     1      -3.666  -0.823  -1.151  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.589   0.939  -0.913  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.910  -1.056   0.981  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.833   0.706   1.219  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.087  -0.046  -1.082  1.00  0.00           H  
HETATM   34  HA  UNL     1      -0.139   0.136   1.675  1.00  0.00           H  
HETATM   35  H1  UNL     1       1.141  -1.949   1.593  1.00  0.00           H  
HETATM   36  H2  UNL     1      -0.580  -2.312   1.317  1.00  0.00           H  
HETATM   37  H   UNL     1       0.823  -3.368  -0.303  1.00  0.00           H  
HETATM   38  H   UNL     1       2.532  -0.151   1.464  1.00  0.00           H  
HETATM   39  H   UNL     1       3.467   0.790  -1.138  1.00  0.00           H  
HETATM   40  H   UNL     1       5.707   0.747  -0.045  1.00  0.00           H  
HETATM   41  H   UNL     1       6.398  -1.696   1.450  1.00  0.00           H  
HETATM   42  H   UNL     1       6.163  -2.924   0.183  1.00  0.00           H  
HETATM   43  H   UNL     1       6.981  -1.391  -0.204  1.00  0.00           H  
HETATM   44  H   UNL     1       2.912  -1.659   0.451  1.00  0.00           H  
HETATM   45  H   UNL     1       3.646  -0.909  -1.729  1.00  0.00           H  
HETATM   46  H   UNL     1       5.402  -0.844  -2.014  1.00  0.00           H  
HETATM   47  H   UNL     1       4.223  -0.044   2.322  1.00  0.00           H  
HETATM   48  H   UNL     1       3.594   2.530   1.365  1.00  0.00           H  
HETATM   49  H   UNL     1       4.490   2.855  -0.138  1.00  0.00           H  
HETATM   50  H   UNL     1       1.457   2.581   0.045  1.00  0.00           H  
HETATM   51  H   UNL     1       1.441   5.039  -0.280  1.00  0.00           H  
HETATM   52  H   UNL     1       2.279   4.600   1.227  1.00  0.00           H  
HETATM   53  H   UNL     1       3.219   5.060  -0.212  1.00  0.00           H  
HETATM   54  H   UNL     1       2.438   1.980  -2.151  1.00  0.00           H  
HETATM   55  H   UNL     1       1.534   3.509  -2.253  1.00  0.00           H  
HETATM   56  H   UNL     1       3.312   3.530  -2.185  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.085   1.046  -0.894  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.162  -0.716  -1.132  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.406  -0.950   1.000  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.330   0.812   1.238  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.540   1.111  -0.943  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.632  -0.876  -1.947  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.859  -1.041  -1.969  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.820  -1.923  -0.757  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.769   1.092   1.210  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.747   0.369  -0.090  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.936  -0.677   1.099  1.00  0.00           H  
HETATM   68  H   UNL     1       4.452  -2.898  -2.779  1.00  0.00           H  
CONECT    1    2    3   29   30                                       
CONECT    2   23    1   31   32                                       
CONECT    3    4    4    1    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   33                                            
CONECT    6    5    9    7   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7   37                                                 
CONECT    9   11    6   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   38                                            
CONECT   12   19   11   13   39                                       
CONECT   13   12   18   14   40                                       
CONECT   14   13   16   17   15                                       
CONECT   15   14   41   42   43                                       
CONECT   16   14   44                                                 
CONECT   17   14   28   45   46                                       
CONECT   18   13   47                                                 
CONECT   19   20   12   48   49                                       
CONECT   20   21   22   19   50                                       
CONECT   21   20   51   52   53                                       
CONECT   22   20   54   55   56                                       
CONECT   23    2   24   57   58                                       
CONECT   24   25   23   59   60                                       
CONECT   25   27   26   24   61                                       
CONECT   26   25   62   63   64                                       
CONECT   27   25   65   66   67                                       
CONECT   28   17   68                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
