COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.791  -0.376   6.114  1.00  0.00           C  
HETATM    2  C   UNL     1       0.106   0.151   7.027  1.00  0.00           C  
HETATM    3  C   UNL     1       1.331   0.630   6.611  1.00  0.00           C  
HETATM    4  C   UNL     1       1.682   0.590   5.264  1.00  0.00           C  
HETATM    5  O   UNL     1       2.887   1.062   4.859  1.00  0.00           O  
HETATM    6  C   UNL     1       0.784   0.066   4.332  1.00  0.00           C  
HETATM    7  C   UNL     1       1.136   0.008   2.900  1.00  0.00           C  
HETATM    8  O   UNL     1       2.284   0.186   2.539  1.00  0.00           O  
HETATM    9  C   UNL     1       0.076  -0.262   1.910  1.00  0.00           C  
HETATM   10  C   UNL     1       0.293  -0.040   0.553  1.00  0.00           C  
HETATM   11  O   UNL     1       1.493   0.428   0.131  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.721  -0.297  -0.379  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.413  -0.024  -1.829  1.00  0.00           C  
HETATM   14  O   UNL     1       0.906  -0.487  -2.124  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.412  -0.739  -2.736  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.828  -0.395  -2.259  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.784  -0.864  -3.212  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.962   1.096  -2.096  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.780   1.605  -1.016  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.323   1.954  -3.282  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.389   3.323  -2.877  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.061  -1.082  -0.915  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.936  -0.777   0.039  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.170  -1.005   1.402  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.374  -1.478   1.809  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.174  -0.751   2.341  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.410  -0.985   3.778  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.373  -1.630   4.146  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.462  -0.426   4.765  1.00  0.00           C  
HETATM   30  C   UNL     1       3.562   1.529   6.029  1.00  0.00           C  
HETATM   31  C   UNL     1       1.598   0.601  -2.737  1.00  0.00           C  
HETATM   32  C   UNL     1       3.094   0.283  -2.798  1.00  0.00           C  
HETATM   33  C   UNL     1       3.298  -1.006  -3.599  1.00  0.00           C  
HETATM   34  N   UNL     1       4.735  -1.242  -3.796  1.00  0.00           N  
HETATM   35  C   UNL     1       2.607  -0.854  -4.959  1.00  0.00           C  
HETATM   36  O   UNL     1       3.273   0.154  -5.723  1.00  0.00           O  
HETATM   37  C   UNL     1       1.148  -0.450  -4.735  1.00  0.00           C  
HETATM   38  O   UNL     1       1.094   0.801  -4.056  1.00  0.00           O  
HETATM   39  C   UNL     1       0.441  -0.326  -6.086  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.747  -0.749   6.450  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.154   0.188   8.075  1.00  0.00           H  
HETATM   42  H   UNL     1       2.022   1.038   7.334  1.00  0.00           H  
HETATM   43  H   UNL     1       1.418   1.392   0.091  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.466   1.048  -2.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.256  -1.816  -2.677  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.279  -0.403  -3.764  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.658  -0.643  -2.862  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.564   1.840  -4.057  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.291   1.643  -3.674  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.622   3.836  -3.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.120  -2.160  -1.068  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.000  -0.729  -0.489  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.932  -0.707   1.985  1.00  0.00           H  
HETATM   54  H   UNL     1       4.541   1.920   5.752  1.00  0.00           H  
HETATM   55  H   UNL     1       2.975   2.319   6.497  1.00  0.00           H  
HETATM   56  H   UNL     1       3.686   0.704   6.731  1.00  0.00           H  
HETATM   57  H   UNL     1       1.444   1.506  -2.149  1.00  0.00           H  
HETATM   58  H   UNL     1       3.621   1.103  -3.286  1.00  0.00           H  
HETATM   59  H   UNL     1       3.480   0.150  -1.787  1.00  0.00           H  
HETATM   60  H   UNL     1       2.860  -1.846  -3.059  1.00  0.00           H  
HETATM   61  H   UNL     1       5.144  -1.323  -2.877  1.00  0.00           H  
HETATM   62  H   UNL     1       4.823  -2.147  -4.233  1.00  0.00           H  
HETATM   63  H   UNL     1       2.645  -1.802  -5.496  1.00  0.00           H  
HETATM   64  H   UNL     1       2.807   0.217  -6.568  1.00  0.00           H  
HETATM   65  H   UNL     1       0.650  -1.210  -4.134  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.597  -0.038  -5.927  1.00  0.00           H  
HETATM   67  H   UNL     1       0.940   0.432  -6.689  1.00  0.00           H  
HETATM   68  H   UNL     1       0.478  -1.284  -6.605  1.00  0.00           H  
CONECT    1    2    2   29   40                                       
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   30                                                 
CONECT    6    4    7   29   29                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   26                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   43                                                 
CONECT   12   10   13   23   23                                       
CONECT   13   12   14   15   44                                       
CONECT   14   13   31                                                 
CONECT   15   13   16   45   46                                       
CONECT   16   15   17   18   22                                       
CONECT   17   16   47                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   48   49                                       
CONECT   21   20   50                                                 
CONECT   22   16   23   51   52                                       
CONECT   23   12   12   22   24                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   53                                                 
CONECT   26    9   24   24   27                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29    1    6    6   27                                       
CONECT   30    5   54   55   56                                       
CONECT   31   14   32   38   57                                       
CONECT   32   31   33   58   59                                       
CONECT   33   32   34   35   60                                       
CONECT   34   33   61   62                                            
CONECT   35   33   36   37   63                                       
CONECT   36   35   64                                                 
CONECT   37   35   38   39   65                                       
CONECT   38   31   37                                                 
CONECT   39   37   66   67   68                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
