COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.247  -0.360   0.737  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.450   3.071  -0.376  1.00  0.00           C  
HETATM    3  CA  UNL     1      -2.611   0.578  -0.428  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.286   0.524   0.288  1.00  0.00           C  
HETATM    5  C   UNL     1       0.639  -3.716   1.329  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.088  -0.021   0.348  1.00  0.00           C  
HETATM    7  C   UNL     1       2.210  -0.203  -0.642  1.00  0.00           C  
HETATM    8  CA  UNL     1       4.562  -0.563  -1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       5.883  -0.135  -0.524  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.146  -1.823   0.302  1.00  0.00           C  
HETATM   11  C   UNL     1       5.844   1.366  -0.228  1.00  0.00           C  
HETATM   12  C   UNL     1       7.181   1.829   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       6.876   1.733   1.906  1.00  0.00           C  
HETATM   14  C   UNL     1       4.814   1.668   0.838  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.793   0.479  -0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.683   1.853  -1.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.063   1.956  -1.924  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.607   1.806  -2.359  1.00  0.00           C  
HETATM   19  C   UNL     1       1.010  -1.246   1.261  1.00  0.00           C  
HETATM   20  C   UNL     1       0.814  -2.503   0.412  1.00  0.00           C  
HETATM   21  C   UNL     1       2.040  -2.712  -0.480  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.431  -2.340  -0.462  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.191  -0.249   1.936  1.00  0.00           C  
HETATM   24  C   UNL     1       4.647  -2.034  -1.576  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.920   0.129   0.208  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.698   0.581   0.554  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.178   0.133  -0.373  1.00  0.00           N  
HETATM   28  N   UNL     1       3.471  -0.386  -0.204  1.00  0.00           N  
HETATM   29  N   UNL     1       5.419   1.875   2.020  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.919   0.131   1.112  1.00  0.00           N  
HETATM   31  O   UNL     1       3.616   1.718   0.653  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.120  -0.281  -0.919  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.217   0.832   1.459  1.00  0.00           O  
HETATM   34  O   UNL     1       1.977  -0.185  -1.832  1.00  0.00           O  
HETATM   35  O   UNL     1       5.011  -2.824  -0.442  1.00  0.00           O  
HETATM   36  H   UNL     1      -1.467   2.998   0.089  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.501   3.979  -0.976  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.216   3.104   0.399  1.00  0.00           H  
HETATM   39  HA  UNL     1      -2.709  -0.292  -1.077  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.234  -3.567   1.964  1.00  0.00           H  
HETATM   41  H   UNL     1       0.500  -4.612   0.724  1.00  0.00           H  
HETATM   42  H   UNL     1       1.526  -3.832   1.951  1.00  0.00           H  
HETATM   43  HA  UNL     1       1.274   0.869   0.949  1.00  0.00           H  
HETATM   44  HA  UNL     1       4.372   0.049  -2.048  1.00  0.00           H  
HETATM   45  H   UNL     1       6.030  -0.685   0.406  1.00  0.00           H  
HETATM   46  H   UNL     1       6.705  -0.349  -1.207  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.474  -1.903  -0.553  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.757  -2.421   1.126  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.134  -2.189   0.022  1.00  0.00           H  
HETATM   50  H   UNL     1       5.629   1.927  -1.137  1.00  0.00           H  
HETATM   51  H   UNL     1       7.994   1.158   0.118  1.00  0.00           H  
HETATM   52  H   UNL     1       7.410   2.856   0.107  1.00  0.00           H  
HETATM   53  H   UNL     1       7.192   0.765   2.294  1.00  0.00           H  
HETATM   54  H   UNL     1       7.376   2.538   2.444  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.781   0.114  -0.700  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.866   1.522  -0.111  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.122   0.400  -1.275  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.114   2.864  -2.524  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.229   1.088  -2.562  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.829   1.989  -1.149  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.624   1.741  -1.894  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.769   0.934  -2.993  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.664   2.711  -2.965  1.00  0.00           H  
HETATM   64  H   UNL     1       1.934  -1.333   1.832  1.00  0.00           H  
HETATM   65  H   UNL     1       0.169  -1.135   1.946  1.00  0.00           H  
HETATM   66  H   UNL     1       2.946  -2.529   0.098  1.00  0.00           H  
HETATM   67  H   UNL     1       2.048  -3.736  -0.854  1.00  0.00           H  
HETATM   68  H   UNL     1       2.000  -2.019  -1.321  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.193  -1.710  -1.319  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.760  -3.319  -0.811  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.226  -1.876   0.121  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.802  -0.847   2.761  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.263   0.794   2.246  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.179  -0.614   1.657  1.00  0.00           H  
HETATM   75  H1  UNL     1       3.678  -2.363  -1.952  1.00  0.00           H  
HETATM   76  H2  UNL     1       5.398  -2.151  -2.357  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.538   0.908   1.453  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.220  -0.046  -1.325  1.00  0.00           H  
HETATM   79  H   UNL     1       3.657  -0.400   0.748  1.00  0.00           H  
HETATM   80  H   UNL     1       4.953   2.091   2.843  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.760   0.458   2.011  1.00  0.00           H  
HETATM   82  H   UNL     1       5.084  -3.770  -0.629  1.00  0.00           H  
CONECT    1   15   30   23   10                                       
CONECT    2   16   36   37   38                                       
CONECT    3   16    4   26   39                                       
CONECT    4   27    3   33   33                                       
CONECT    5   20   40   41   42                                       
CONECT    6   19    7   27   43                                       
CONECT    7   34   34    6   28                                       
CONECT    8   24   28    9   44                                       
CONECT    9    8   11   45   46                                       
CONECT   10    1   47   48   49                                       
CONECT   11   12    9   14   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   29   53   54                                       
CONECT   14   11   29   31   31                                       
CONECT   15    1   55   56   57                                       
CONECT   16   18    2    3   17                                       
CONECT   17   16   58   59   60                                       
CONECT   18   16   61   62   63                                       
CONECT   19   20    6   64   65                                       
CONECT   20   22   19   21    5                                       
CONECT   21   20   66   67   68                                       
CONECT   22   20   69   70   71                                       
CONECT   23    1   72   73   74                                       
CONECT   24   35    8   75   76                                       
CONECT   25   32   32   26   30                                       
CONECT   26    3   25   77                                            
CONECT   27    6    4   78                                            
CONECT   28    7    8   79                                            
CONECT   29   13   14   80                                            
CONECT   30   25    1   81                                            
CONECT   31   14   14                                                 
CONECT   32   25   25                                                 
CONECT   33    4    4                                                 
CONECT   34    7    7                                                 
CONECT   35   24   82                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   35                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
