COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.345   3.931  -1.383  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.299   2.402  -1.360  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.645   1.586  -1.963  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.650   0.069  -2.222  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.242  -0.489  -2.005  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.424  -2.618  -0.987  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.313  -2.077  -2.258  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.260  -3.753  -0.362  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.512  -2.792   0.548  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.206  -1.513   0.724  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.785   1.618   1.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.956  -0.789   1.867  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.826   0.404   2.046  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.934   0.525   1.209  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.530   2.591   2.275  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.431   2.468   3.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.579   1.381   3.003  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.924   1.706   0.367  1.00  0.00           C  
HETATM   19  C   UNL     1       0.924  -2.572   0.055  1.00  0.00           C  
HETATM   20  C   UNL     1       1.644  -1.602   0.994  1.00  0.00           C  
HETATM   21  C   UNL     1       3.698  -0.367   1.335  1.00  0.00           C  
HETATM   22  C   UNL     1       5.058  -0.080   0.753  1.00  0.00           C  
HETATM   23  C   UNL     1       5.227   0.977  -0.121  1.00  0.00           C  
HETATM   24  C   UNL     1       6.474   1.241  -0.655  1.00  0.00           C  
HETATM   25  C   UNL     1       7.553   0.447  -0.315  1.00  0.00           C  
HETATM   26  C   UNL     1       7.385  -0.610   0.560  1.00  0.00           C  
HETATM   27  C   UNL     1       6.139  -0.871   1.098  1.00  0.00           C  
HETATM   28  C   UNL     1       6.658   2.393  -1.609  1.00  0.00           C  
HETATM   29  C   UNL     1       7.673   3.379  -1.028  1.00  0.00           C  
HETATM   30  C   UNL     1       7.168   1.867  -2.952  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.233  -2.012  -2.137  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.079  -3.137  -1.478  1.00  0.00           C  
HETATM   33  N   UNL     1       2.977  -1.298   0.457  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.612   1.878  -0.948  1.00  0.00           N  
HETATM   35  O   UNL     1      -0.104  -1.104   2.675  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.086   1.627   0.756  1.00  0.00           O  
HETATM   37  O   UNL     1       1.618  -3.821   0.038  1.00  0.00           O  
HETATM   38  H   UNL     1      -3.588   4.303  -0.388  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.373   4.319  -1.688  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.106   4.262  -2.090  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.056   2.031  -2.356  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.538   2.072  -0.654  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.431   2.126  -2.890  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.625   1.897  -1.588  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.354  -0.421  -1.547  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.966  -0.121  -3.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.565  -0.063  -2.746  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.908  -0.229  -1.000  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.292  -1.875  -0.207  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.994  -3.453  -0.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.425  -2.525  -2.704  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.950  -1.672  -3.043  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.014  -1.275  -1.583  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.532  -4.450  -0.812  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.926  -4.381   0.255  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.435  -3.269   1.548  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.799  -1.148   0.054  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.149  -0.255   0.494  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.187   3.443   2.355  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.227   3.236   3.842  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.725   1.290   3.656  1.00  0.00           H  
HETATM   62  H   UNL     1       0.903  -2.155  -0.952  1.00  0.00           H  
HETATM   63  H   UNL     1       1.066  -0.681   1.076  1.00  0.00           H  
HETATM   64  H   UNL     1       1.744  -2.057   1.979  1.00  0.00           H  
HETATM   65  H   UNL     1       3.813  -0.814   2.323  1.00  0.00           H  
HETATM   66  H   UNL     1       3.135   0.562   1.420  1.00  0.00           H  
HETATM   67  H   UNL     1       4.383   1.597  -0.387  1.00  0.00           H  
HETATM   68  H   UNL     1       8.528   0.652  -0.733  1.00  0.00           H  
HETATM   69  H   UNL     1       8.228  -1.231   0.826  1.00  0.00           H  
HETATM   70  H   UNL     1       6.008  -1.696   1.782  1.00  0.00           H  
HETATM   71  H   UNL     1       5.703   2.898  -1.756  1.00  0.00           H  
HETATM   72  H   UNL     1       7.805   4.213  -1.718  1.00  0.00           H  
HETATM   73  H   UNL     1       7.309   3.754  -0.072  1.00  0.00           H  
HETATM   74  H   UNL     1       8.627   2.874  -0.882  1.00  0.00           H  
HETATM   75  H   UNL     1       6.445   1.164  -3.366  1.00  0.00           H  
HETATM   76  H   UNL     1       7.301   2.700  -3.642  1.00  0.00           H  
HETATM   77  H   UNL     1       8.123   1.361  -2.805  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.259  -2.386  -2.089  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.805  -2.294  -3.096  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.310  -3.956  -2.200  1.00  0.00           H  
HETATM   81  H   UNL     1       2.914  -0.935  -0.482  1.00  0.00           H  
HETATM   82  H   UNL     1       1.676  -4.251   0.902  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2   34    1   41   42                                       
CONECT    3    4   34   43   44                                       
CONECT    4    5    3   45   46                                       
CONECT    5   31    4   47   48                                       
CONECT    6   32   31   49   50                                       
CONECT    7   32   51   52   53                                       
CONECT    8    9   32   54   55                                       
CONECT    9   19    8   10   56                                       
CONECT   10    9   12   57                                            
CONECT   11   14   14   15   18                                       
CONECT   12   35   35   10   13                                       
CONECT   13   12   17   17   14                                       
CONECT   14   13   11   11   58                                       
CONECT   15   16   16   11   59                                       
CONECT   16   17   15   15   60                                       
CONECT   17   13   13   16   61                                       
CONECT   18   11   34   36   36                                       
CONECT   19   20   37    9   62                                       
CONECT   20   33   19   63   64                                       
CONECT   21   22   33   65   66                                       
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22   67                                       
CONECT   24   28   25   25   23                                       
CONECT   25   24   24   26   68                                       
CONECT   26   25   27   27   69                                       
CONECT   27   26   26   22   70                                       
CONECT   28   29   30   24   71                                       
CONECT   29   28   72   73   74                                       
CONECT   30   28   75   76   77                                       
CONECT   31    6    5   78   79                                       
CONECT   32    7    8    6   80                                       
CONECT   33   21   20   81                                            
CONECT   34    3   18    2                                            
CONECT   35   12   12                                                 
CONECT   36   18   18                                                 
CONECT   37   19   82                                                 
CONECT   38    1                                                      
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    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   37                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
