COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.880  -3.098   0.845  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.403  -3.067   0.445  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.053  -4.348  -0.314  1.00  0.00           C  
HETATM    4  N   UNL     1       8.760  -4.113  -0.649  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.240  -1.787   1.551  1.00  0.00           C  
HETATM    6  C   UNL     1       7.279  -2.438  -1.366  1.00  0.00           C  
HETATM    7  C   UNL     1       7.704  -2.613  -2.675  1.00  0.00           C  
HETATM    8  C   UNL     1       8.677  -3.566  -2.931  1.00  0.00           C  
HETATM    9  C   UNL     1       9.187  -4.306  -1.881  1.00  0.00           C  
HETATM   10  C   UNL     1       7.836  -3.215  -0.368  1.00  0.00           C  
HETATM   11  C   UNL     1       7.381  -3.033   1.057  1.00  0.00           C  
HETATM   12  O   UNL     1       6.383  -2.013   1.113  1.00  0.00           O  
HETATM   13  C   UNL     1       5.882  -1.761   2.427  1.00  0.00           C  
HETATM   14  C   UNL     1       4.840  -0.673   2.368  1.00  0.00           C  
HETATM   15  C   UNL     1       4.419  -0.015   1.263  1.00  0.00           C  
HETATM   16  N   UNL     1       4.146  -0.172   3.396  1.00  0.00           N  
HETATM   17  N   UNL     1       3.352   0.739   2.958  1.00  0.00           N  
HETATM   18  N   UNL     1       3.482   0.867   1.684  1.00  0.00           N  
HETATM   19  C   UNL     1       2.743   1.804   0.835  1.00  0.00           C  
HETATM   20  C   UNL     1       1.240   1.599   1.035  1.00  0.00           C  
HETATM   21  O   UNL     1       0.880   0.278   0.626  1.00  0.00           O  
HETATM   22  O   UNL     1       3.091   3.144   1.190  1.00  0.00           O  
HETATM   23  C   UNL     1       2.442   4.144   0.401  1.00  0.00           C  
HETATM   24  C   UNL     1       2.909   5.530   0.849  1.00  0.00           C  
HETATM   25  O   UNL     1       4.303   5.676   0.571  1.00  0.00           O  
HETATM   26  C   UNL     1       0.927   4.032   0.584  1.00  0.00           C  
HETATM   27  O   UNL     1       0.273   4.993  -0.248  1.00  0.00           O  
HETATM   28  C   UNL     1       0.475   2.622   0.190  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.928   2.486   0.427  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.580   1.573  -0.458  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.043   1.411  -0.036  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.102   0.850   1.277  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.524   2.081  -1.792  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.129   1.228  -2.767  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.985   1.856  -4.154  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.601   1.914  -4.509  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.614   1.053  -2.438  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.208   0.154  -3.377  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.751   0.479  -1.024  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.135   0.381  -0.681  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.433  -0.678   0.231  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.162  -1.935  -0.393  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.650  -4.373  -0.585  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.113  -4.196   1.730  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.634  -1.779   1.863  1.00  0.00           O  
HETATM   46  C   UNL     1      -6.913  -0.614   0.622  1.00  0.00           C  
HETATM   47  O   UNL     1      -7.176   0.618   1.298  1.00  0.00           O  
HETATM   48  H   UNL     1      -7.497  -3.213  -0.047  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.786  -2.995   1.341  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.321  -5.214   0.291  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.605  -4.376  -1.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.660  -1.697   2.470  1.00  0.00           H  
HETATM   53  H   UNL     1       6.522  -1.705  -1.130  1.00  0.00           H  
HETATM   54  H   UNL     1       7.286  -2.020  -3.475  1.00  0.00           H  
HETATM   55  H   UNL     1       9.031  -3.729  -3.938  1.00  0.00           H  
HETATM   56  H   UNL     1       9.946  -5.051  -2.072  1.00  0.00           H  
HETATM   57  H   UNL     1       6.965  -3.970   1.428  1.00  0.00           H  
HETATM   58  H   UNL     1       8.231  -2.744   1.675  1.00  0.00           H  
HETATM   59  H   UNL     1       5.434  -2.671   2.826  1.00  0.00           H  
HETATM   60  H   UNL     1       6.701  -1.445   3.074  1.00  0.00           H  
HETATM   61  H   UNL     1       4.761  -0.163   0.250  1.00  0.00           H  
HETATM   62  H   UNL     1       2.999   1.627  -0.210  1.00  0.00           H  
HETATM   63  H   UNL     1       0.990   1.735   2.087  1.00  0.00           H  
HETATM   64  H   UNL     1       1.331  -0.423   1.116  1.00  0.00           H  
HETATM   65  H   UNL     1       2.693   3.997  -0.650  1.00  0.00           H  
HETATM   66  H   UNL     1       2.349   6.294   0.310  1.00  0.00           H  
HETATM   67  H   UNL     1       2.739   5.642   1.920  1.00  0.00           H  
HETATM   68  H   UNL     1       4.669   6.533   0.829  1.00  0.00           H  
HETATM   69  H   UNL     1       0.671   4.218   1.627  1.00  0.00           H  
HETATM   70  H   UNL     1       0.516   5.909  -0.057  1.00  0.00           H  
HETATM   71  H   UNL     1       0.684   2.454  -0.867  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.081   0.605  -0.415  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.533   2.385  -0.039  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.668   1.386   1.954  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.637   0.256  -2.755  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.522   1.252  -4.885  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.399   2.864  -4.142  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.435   2.302  -5.379  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.115   2.019  -2.490  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.153   0.452  -4.295  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.293  -0.509  -0.985  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.816  -0.575   1.123  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.356  -5.159  -1.066  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.030  -4.276   2.026  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.932  -0.976   2.313  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.530  -0.677  -0.275  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.986   1.405   0.769  1.00  0.00           H  
CONECT    1    5    2   44   48                                       
CONECT    2   42    1    3   49                                       
CONECT    3    2   43   50   51                                       
CONECT    4   10    9    9                                            
CONECT    5   46   45    1   52                                       
CONECT    6   10   10    7   53                                       
CONECT    7    6    8    8   54                                       
CONECT    8    7    7    9   55                                       
CONECT    9    4    4    8   56                                       
CONECT   10   11    6    6    4                                       
CONECT   11   12   10   57   58                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   59   60                                       
CONECT   14   15   15   16   13                                       
CONECT   15   18   14   14   61                                       
CONECT   16   17   17   14                                            
CONECT   17   18   16   16                                            
CONECT   18   19   17   15                                            
CONECT   19   22   20   18   62                                       
CONECT   20   28   19   21   63                                       
CONECT   21   20   64                                                 
CONECT   22   23   19                                                 
CONECT   23   24   26   22   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   24   68                                                 
CONECT   26   27   23   28   69                                       
CONECT   27   26   70                                                 
CONECT   28   26   29   20   71                                       
CONECT   29   28   30                                                 
CONECT   30   33   29   31   72                                       
CONECT   31   30   39   32   73                                       
CONECT   32   31   74                                                 
CONECT   33   34   30                                                 
CONECT   34   33   35   37   75                                       
CONECT   35   36   34   76   77                                       
CONECT   36   35   78                                                 
CONECT   37   34   38   39   79                                       
CONECT   38   37   80                                                 
CONECT   39   37   31   40   81                                       
CONECT   40   39   41                                                 
CONECT   41   40   46   42   82                                       
CONECT   42   41    2                                                 
CONECT   43    3   83                                                 
CONECT   44    1   84                                                 
CONECT   45    5   85                                                 
CONECT   46   47   41    5   86                                       
CONECT   47   46   87                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
