COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.087   0.782  -0.325  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.782   0.019   0.663  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.082  -0.534   0.069  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.944   0.625  -0.434  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.377   1.491   0.752  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.203   2.601   0.270  1.00  0.00           N  
HETATM    7  C   UNL     1      -8.443   2.914   0.689  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.815   3.969   0.005  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.854   4.286  -0.793  1.00  0.00           N  
HETATM   10  N   UNL     1      -6.876   3.465  -0.631  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.761  -1.472  -1.096  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.976  -1.866  -1.736  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.033  -2.715  -0.576  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.923  -1.150   1.103  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.327  -1.170   2.295  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.778  -2.267   0.146  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.586  -2.858  -0.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.395  -2.397   0.643  1.00  0.00           C  
HETATM   19  C   UNL     1       0.783  -2.981   0.425  1.00  0.00           C  
HETATM   20  C   UNL     1       0.953  -4.132  -0.556  1.00  0.00           C  
HETATM   21  C   UNL     1       2.112  -3.860  -1.513  1.00  0.00           C  
HETATM   22  C   UNL     1       2.036  -2.548   1.125  1.00  0.00           C  
HETATM   23  C   UNL     1       1.960  -1.244   1.922  1.00  0.00           C  
HETATM   24  C   UNL     1       3.443  -0.780   1.965  1.00  0.00           C  
HETATM   25  C   UNL     1       4.140  -1.434   0.743  1.00  0.00           C  
HETATM   26  C   UNL     1       3.030  -2.155  -0.005  1.00  0.00           C  
HETATM   27  C   UNL     1       2.345  -1.173  -0.957  1.00  0.00           C  
HETATM   28  C   UNL     1       3.377  -3.411  -0.763  1.00  0.00           C  
HETATM   29  C   UNL     1       4.770  -0.361  -0.147  1.00  0.00           C  
HETATM   30  C   UNL     1       5.420  -1.023  -1.363  1.00  0.00           C  
HETATM   31  C   UNL     1       5.833   0.401   0.648  1.00  0.00           C  
HETATM   32  C   UNL     1       6.375   1.554  -0.200  1.00  0.00           C  
HETATM   33  C   UNL     1       7.438   2.315   0.594  1.00  0.00           C  
HETATM   34  C   UNL     1       7.980   3.468  -0.254  1.00  0.00           C  
HETATM   35  O   UNL     1       8.562   2.946  -1.450  1.00  0.00           O  
HETATM   36  C   UNL     1       6.835   4.417  -0.615  1.00  0.00           C  
HETATM   37  C   UNL     1       9.043   4.229   0.540  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.246   1.148  -0.020  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.010   0.651   1.522  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.626  -1.083   0.837  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.368   1.230  -1.134  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.827   0.230  -0.936  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.953   0.886   1.452  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.494   1.886   1.254  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.019   2.398   1.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.126  -0.953  -1.814  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.850  -2.463  -2.486  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.679  -3.258   0.114  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.765  -3.361  -1.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.451  -0.339   2.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.721  -2.016   2.582  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.509  -3.673  -0.780  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.472  -1.583   1.349  1.00  0.00           H  
HETATM   54  H   UNL     1       1.153  -5.050  -0.002  1.00  0.00           H  
HETATM   55  H   UNL     1       0.034  -4.253  -1.130  1.00  0.00           H  
HETATM   56  H   UNL     1       2.333  -4.770  -2.071  1.00  0.00           H  
HETATM   57  H   UNL     1       1.818  -3.077  -2.213  1.00  0.00           H  
HETATM   58  H   UNL     1       2.440  -3.358   1.734  1.00  0.00           H  
HETATM   59  H   UNL     1       1.341  -0.511   1.404  1.00  0.00           H  
HETATM   60  H   UNL     1       1.580  -1.427   2.927  1.00  0.00           H  
HETATM   61  H   UNL     1       3.498   0.306   1.890  1.00  0.00           H  
HETATM   62  H   UNL     1       3.914  -1.116   2.889  1.00  0.00           H  
HETATM   63  H   UNL     1       4.898  -2.143   1.075  1.00  0.00           H  
HETATM   64  H   UNL     1       2.157  -0.234  -0.437  1.00  0.00           H  
HETATM   65  H   UNL     1       2.991  -0.990  -1.816  1.00  0.00           H  
HETATM   66  H   UNL     1       1.400  -1.596  -1.297  1.00  0.00           H  
HETATM   67  H   UNL     1       3.697  -4.187  -0.068  1.00  0.00           H  
HETATM   68  H   UNL     1       4.173  -3.203  -1.479  1.00  0.00           H  
HETATM   69  H   UNL     1       3.999   0.334  -0.480  1.00  0.00           H  
HETATM   70  H   UNL     1       4.662  -1.566  -1.929  1.00  0.00           H  
HETATM   71  H   UNL     1       5.868  -0.259  -1.997  1.00  0.00           H  
HETATM   72  H   UNL     1       6.191  -1.718  -1.030  1.00  0.00           H  
HETATM   73  H   UNL     1       5.389   0.799   1.560  1.00  0.00           H  
HETATM   74  H   UNL     1       6.648  -0.275   0.905  1.00  0.00           H  
HETATM   75  H   UNL     1       6.819   1.156  -1.113  1.00  0.00           H  
HETATM   76  H   UNL     1       5.560   2.230  -0.458  1.00  0.00           H  
HETATM   77  H   UNL     1       6.994   2.713   1.507  1.00  0.00           H  
HETATM   78  H   UNL     1       8.253   1.639   0.851  1.00  0.00           H  
HETATM   79  H   UNL     1       9.295   2.335  -1.297  1.00  0.00           H  
HETATM   80  H   UNL     1       6.392   4.815   0.298  1.00  0.00           H  
HETATM   81  H   UNL     1       7.221   5.238  -1.219  1.00  0.00           H  
HETATM   82  H   UNL     1       6.078   3.874  -1.181  1.00  0.00           H  
HETATM   83  H   UNL     1       9.858   3.553   0.798  1.00  0.00           H  
HETATM   84  H   UNL     1       9.429   5.050  -0.064  1.00  0.00           H  
HETATM   85  H   UNL     1       8.599   4.627   1.453  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    1   14    3   39                                       
CONECT    3    2   11    4   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    6    4   43   44                                       
CONECT    6   10    5    7                                            
CONECT    7    8    8    6   45                                       
CONECT    8    9    7    7                                            
CONECT    9   10   10    8                                            
CONECT   10    9    9    6                                            
CONECT   11   12    3   13   46                                       
CONECT   12   11   47                                                 
CONECT   13   16   11   48   49                                       
CONECT   14    2   15   15   16                                       
CONECT   15   14   14   50   51                                       
CONECT   16   14   17   17   13                                       
CONECT   17   18   16   16   52                                       
CONECT   18   19   19   17   53                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   54   55                                       
CONECT   21   28   20   56   57                                       
CONECT   22   23   26   19   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   29   26   63                                       
CONECT   26   25   22   27   28                                       
CONECT   27   26   64   65   66                                       
CONECT   28   26   21   67   68                                       
CONECT   29   31   30   25   69                                       
CONECT   30   29   70   71   72                                       
CONECT   31   29   32   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   77   78                                       
CONECT   34   35   33   37   36                                       
CONECT   35   34   79                                                 
CONECT   36   34   80   81   82                                       
CONECT   37   34   83   84   85                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
