COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.772  -3.059   0.819  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.000  -2.883  -0.490  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.548  -2.617  -0.185  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.553  -3.589  -0.047  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.756  -5.078  -0.165  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.359  -2.937   0.211  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.066  -3.595   0.390  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.627  -1.590   0.280  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.958  -1.378  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.644  -0.095  -0.070  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.070   1.099  -0.342  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.818   1.423  -0.841  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.000   0.599  -1.737  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.727   2.348  -0.120  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.195   2.551   0.137  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.794   3.322  -0.152  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.053   4.789   0.065  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.795   5.141   1.531  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.533   2.720  -0.433  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.344   3.339  -0.226  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.042   2.688  -0.174  1.00  0.00           C  
HETATM   22  N   UNL     1       0.241   1.390   0.175  1.00  0.00           N  
HETATM   23  C   UNL     1       1.162   3.311  -0.471  1.00  0.00           C  
HETATM   24  C   UNL     1       1.351   4.752  -0.869  1.00  0.00           C  
HETATM   25  C   UNL     1       2.180   2.359  -0.335  1.00  0.00           C  
HETATM   26  C   UNL     1       3.650   2.603  -0.564  1.00  0.00           C  
HETATM   27  C   UNL     1       4.302   3.051   0.746  1.00  0.00           C  
HETATM   28  C   UNL     1       5.772   3.295   0.517  1.00  0.00           C  
HETATM   29  O   UNL     1       6.551   3.698   1.533  1.00  0.00           O  
HETATM   30  O   UNL     1       6.248   3.128  -0.581  1.00  0.00           O  
HETATM   31  C   UNL     1       1.589   1.163   0.046  1.00  0.00           C  
HETATM   32  C   UNL     1       2.304  -0.096   0.234  1.00  0.00           C  
HETATM   33  C   UNL     1       1.684  -1.303   0.317  1.00  0.00           C  
HETATM   34  N   UNL     1       0.323  -1.562   0.192  1.00  0.00           N  
HETATM   35  C   UNL     1       0.118  -2.923   0.386  1.00  0.00           C  
HETATM   36  C   UNL     1       1.390  -3.522   0.568  1.00  0.00           C  
HETATM   37  C   UNL     1       1.669  -4.989   0.773  1.00  0.00           C  
HETATM   38  C   UNL     1       2.332  -2.550   0.526  1.00  0.00           C  
HETATM   39  C   UNL     1       3.815  -2.772   0.675  1.00  0.00           C  
HETATM   40  C   UNL     1       4.453  -2.901  -0.710  1.00  0.00           C  
HETATM   41  C   UNL     1       5.936  -3.122  -0.561  1.00  0.00           C  
HETATM   42  O   UNL     1       6.706  -3.264  -1.652  1.00  0.00           O  
HETATM   43  O   UNL     1       6.432  -3.171   0.539  1.00  0.00           O  
HETATM   44  H   UNL     1      -6.687  -2.151   1.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.822  -3.251   0.599  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.358  -3.900   1.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.086  -3.790  -1.087  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.415  -2.042  -1.046  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.613  -5.383  -1.202  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.036  -5.595   0.469  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.767  -5.333   0.152  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.050  -4.673   0.535  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.995  -0.899   0.528  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.725  -0.101   0.120  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.527  -0.328  -1.960  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.814   1.143  -2.662  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.050   0.369  -1.253  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.702   1.586   0.129  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.332   3.026   1.109  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.615   3.188  -0.641  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.389   5.373  -0.572  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.090   5.015  -0.186  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.459   4.556   2.168  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.759   4.914   1.782  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.983   6.203   1.689  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.362   4.425  -0.077  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.410   0.748   0.503  1.00  0.00           H  
HETATM   68  H   UNL     1       1.507   5.358   0.024  1.00  0.00           H  
HETATM   69  H   UNL     1       2.219   4.838  -1.522  1.00  0.00           H  
HETATM   70  H   UNL     1       0.463   5.103  -1.396  1.00  0.00           H  
HETATM   71  H   UNL     1       4.122   1.683  -0.909  1.00  0.00           H  
HETATM   72  H   UNL     1       3.776   3.381  -1.317  1.00  0.00           H  
HETATM   73  H   UNL     1       3.831   3.971   1.091  1.00  0.00           H  
HETATM   74  H   UNL     1       4.176   2.273   1.499  1.00  0.00           H  
HETATM   75  H   UNL     1       7.488   3.842   1.337  1.00  0.00           H  
HETATM   76  H   UNL     1       3.390  -0.060   0.315  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.359  -0.911  -0.016  1.00  0.00           H  
HETATM   78  H   UNL     1       0.730  -5.542   0.762  1.00  0.00           H  
HETATM   79  H   UNL     1       2.314  -5.351  -0.027  1.00  0.00           H  
HETATM   80  H   UNL     1       2.165  -5.134   1.733  1.00  0.00           H  
HETATM   81  H   UNL     1       4.258  -1.926   1.201  1.00  0.00           H  
HETATM   82  H   UNL     1       3.991  -3.685   1.242  1.00  0.00           H  
HETATM   83  H   UNL     1       4.010  -3.746  -1.237  1.00  0.00           H  
HETATM   84  H   UNL     1       4.277  -1.987  -1.278  1.00  0.00           H  
HETATM   85  H   UNL     1       7.652  -3.404  -1.506  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4    9    9                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4   49   50   51                                       
CONECT    6    4    4    7    8                                       
CONECT    7    6   35   35   52                                       
CONECT    8    6    9   53                                            
CONECT    9    3    3    8   10                                       
CONECT   10    9   11   11   54                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   19   13                                            
CONECT   13   12   55   56   57                                       
CONECT   14   11   15   16   16                                       
CONECT   15   14   58   59   60                                       
CONECT   16   14   14   19   17                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   63   64   65                                       
CONECT   19   12   16   20   20                                       
CONECT   20   19   19   21   66                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   31   67                                            
CONECT   23   21   21   25   24                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   31   31   26                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   75                                                 
CONECT   30   28   28                                                 
CONECT   31   22   25   25   32                                       
CONECT   32   31   33   33   76                                       
CONECT   33   32   32   38   34                                       
CONECT   34   33   35   77                                            
CONECT   35    7    7   34   36                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   78   79   80                                       
CONECT   38   33   36   36   39                                       
CONECT   39   38   40   81   82                                       
CONECT   40   39   41   83   84                                       
CONECT   41   40   43   43   42                                       
CONECT   42   41   85                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
