COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.860  -0.720  -1.281  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.864  -1.891  -1.303  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.702  -1.697  -0.015  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.853  -0.158   0.066  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.489   0.383  -0.411  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.685   1.635  -1.226  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.731   1.570  -2.436  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.811   2.827  -0.610  1.00  0.00           N  
HETATM    9  N   UNL     1      -3.629   0.663   0.742  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.421   1.233   0.559  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.011   1.439  -0.564  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.580   1.613   1.750  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.194   3.093   1.654  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.227   3.438   2.789  1.00  0.00           C  
HETATM   15  C   UNL     1       1.044   2.597   2.652  1.00  0.00           C  
HETATM   16  C   UNL     1       0.684   1.112   2.759  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.353   0.805   1.765  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.182  -0.200   0.883  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.006  -0.391   0.013  1.00  0.00           O  
HETATM   20  C   UNL     1       1.033  -1.087   0.977  1.00  0.00           C  
HETATM   21  C   UNL     1       0.702  -2.467   0.406  1.00  0.00           C  
HETATM   22  C   UNL     1       1.922  -3.381   0.540  1.00  0.00           C  
HETATM   23  C   UNL     1       1.592  -4.761  -0.032  1.00  0.00           C  
HETATM   24  C   UNL     1       0.416  -5.364   0.740  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.804  -4.451   0.607  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.474  -3.071   1.178  1.00  0.00           C  
HETATM   27  C   UNL     1       2.163  -0.476   0.191  1.00  0.00           C  
HETATM   28  C   UNL     1       3.344  -0.141   0.827  1.00  0.00           C  
HETATM   29  C   UNL     1       2.019  -0.256  -1.166  1.00  0.00           C  
HETATM   30  C   UNL     1       3.057   0.306  -1.894  1.00  0.00           C  
HETATM   31  O   UNL     1       2.914   0.522  -3.229  1.00  0.00           O  
HETATM   32  C   UNL     1       1.668   0.146  -3.817  1.00  0.00           C  
HETATM   33  C   UNL     1       4.244   0.649  -1.256  1.00  0.00           C  
HETATM   34  O   UNL     1       5.265   1.201  -1.967  1.00  0.00           O  
HETATM   35  C   UNL     1       5.288   2.626  -2.068  1.00  0.00           C  
HETATM   36  C   UNL     1       4.387   0.421   0.107  1.00  0.00           C  
HETATM   37  O   UNL     1       5.546   0.756   0.735  1.00  0.00           O  
HETATM   38  C   UNL     1       5.622   0.493   2.138  1.00  0.00           C  
HETATM   39  H   UNL     1      -2.916  -1.046  -0.845  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.696  -0.350  -2.293  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.501  -1.831  -2.185  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.338  -2.845  -1.278  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.676  -2.177  -0.112  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.168  -2.079   0.855  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.650   0.182  -0.595  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.049   0.153   1.092  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.703   2.890   0.352  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.010   3.622  -1.128  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.929   0.440   1.636  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.144   1.441   2.666  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.711   3.282   0.695  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.089   3.708   1.738  1.00  0.00           H  
HETATM   53  H   UNL     1       0.030   4.496   2.738  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.701   3.225   3.747  1.00  0.00           H  
HETATM   55  H   UNL     1       1.506   2.791   1.684  1.00  0.00           H  
HETATM   56  H   UNL     1       1.742   2.861   3.447  1.00  0.00           H  
HETATM   57  H   UNL     1       1.569   0.507   2.563  1.00  0.00           H  
HETATM   58  H   UNL     1       0.306   0.899   3.759  1.00  0.00           H  
HETATM   59  H   UNL     1       1.329  -1.188   2.021  1.00  0.00           H  
HETATM   60  H   UNL     1       0.434  -2.371  -0.646  1.00  0.00           H  
HETATM   61  H   UNL     1       2.760  -2.951  -0.010  1.00  0.00           H  
HETATM   62  H   UNL     1       2.190  -3.477   1.592  1.00  0.00           H  
HETATM   63  H   UNL     1       1.324  -4.664  -1.084  1.00  0.00           H  
HETATM   64  H   UNL     1       2.461  -5.411   0.064  1.00  0.00           H  
HETATM   65  H   UNL     1       0.181  -6.347   0.333  1.00  0.00           H  
HETATM   66  H   UNL     1       0.684  -5.461   1.792  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.072  -4.354  -0.446  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.641  -4.881   1.156  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.206  -3.168   2.230  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.343  -2.420   1.082  1.00  0.00           H  
HETATM   71  H   UNL     1       3.454  -0.318   1.887  1.00  0.00           H  
HETATM   72  H   UNL     1       1.097  -0.523  -1.661  1.00  0.00           H  
HETATM   73  H   UNL     1       1.686   0.371  -4.883  1.00  0.00           H  
HETATM   74  H   UNL     1       1.507  -0.923  -3.674  1.00  0.00           H  
HETATM   75  H   UNL     1       0.859   0.702  -3.342  1.00  0.00           H  
HETATM   76  H   UNL     1       4.375   2.971  -2.552  1.00  0.00           H  
HETATM   77  H   UNL     1       5.357   3.060  -1.071  1.00  0.00           H  
HETATM   78  H   UNL     1       6.151   2.934  -2.659  1.00  0.00           H  
HETATM   79  H   UNL     1       4.839   1.047   2.655  1.00  0.00           H  
HETATM   80  H   UNL     1       5.490  -0.574   2.316  1.00  0.00           H  
HETATM   81  H   UNL     1       6.596   0.806   2.514  1.00  0.00           H  
CONECT    1    2    5   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3    4    2   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    9    1    6                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    6   47   48                                            
CONECT    9   10    5   49                                            
CONECT   10   12    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   17   13   10   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   15   13   53   54                                       
CONECT   15   16   14   55   56                                       
CONECT   16   15   17   57   58                                       
CONECT   17   18   16   12                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   27   18   59                                       
CONECT   21   22   26   20   60                                       
CONECT   22   23   21   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   21   69   70                                       
CONECT   27   29   20   28   28                                       
CONECT   28   27   27   36   71                                       
CONECT   29   30   30   27   72                                       
CONECT   30   31   29   29   33                                       
CONECT   31   32   30                                                 
CONECT   32   31   73   74   75                                       
CONECT   33   30   34   36   36                                       
CONECT   34   33   35                                                 
CONECT   35   34   76   77   78                                       
CONECT   36   33   33   28   37                                       
CONECT   37   36   38                                                 
CONECT   38   37   79   80   81                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
