COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.804   0.447  -0.950  1.00  0.00           C  
HETATM    2  C   UNL     1       9.461   0.874  -0.674  1.00  0.00           C  
HETATM    3  C   UNL     1       3.747  -0.156  -1.560  1.00  0.00           C  
HETATM    4  C   UNL     1       8.671   2.512   0.890  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.344  -3.368   0.541  1.00  0.00           C  
HETATM    6  C   UNL     1       3.215  -0.662  -0.423  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.285  -1.894   0.953  1.00  0.00           C  
HETATM    8  C   UNL     1       8.969   3.124   2.260  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.292  -1.161   0.046  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.050   1.585  -0.747  1.00  0.00           C  
HETATM   11  C   UNL     1       0.063  -3.967   0.616  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.937   0.298   0.075  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.645   0.341   0.897  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.807   1.730  -1.629  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.455   0.534  -0.048  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.885   3.043  -2.411  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.226   0.297   1.502  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.839  -0.245   1.736  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.118  -0.133   0.579  1.00  0.00           C  
HETATM   20  O   UNL     1      10.487  -0.102  -0.870  1.00  0.00           O  
HETATM   21  C   UNL     1       8.091   0.193  -0.726  1.00  0.00           C  
HETATM   22  O   UNL     1       7.893  -0.382  -2.020  1.00  0.00           O  
HETATM   23  O   UNL     1       9.634   1.496   0.601  1.00  0.00           O  
HETATM   24  O   UNL     1      10.229   3.798   2.217  1.00  0.00           O  
HETATM   25  C   UNL     1       7.269   1.897   0.899  1.00  0.00           C  
HETATM   26  O   UNL     1       7.185   0.917   1.936  1.00  0.00           O  
HETATM   27  C   UNL     1       7.001   1.234  -0.455  1.00  0.00           C  
HETATM   28  O   UNL     1       5.724   0.594  -0.430  1.00  0.00           O  
HETATM   29  C   UNL     1       5.078   0.535  -1.704  1.00  0.00           C  
HETATM   30  N   UNL     1       2.861  -0.397  -2.533  1.00  0.00           N  
HETATM   31  N   UNL     1       1.845  -1.006  -2.030  1.00  0.00           N  
HETATM   32  N   UNL     1       2.016  -1.185  -0.767  1.00  0.00           N  
HETATM   33  C   UNL     1       1.075  -1.845   0.141  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.174   0.199   0.468  1.00  0.00           O  
HETATM   35  O   UNL     1       0.943  -3.220  -0.226  1.00  0.00           O  
HETATM   36  C   UNL     1       0.023  -5.424   0.149  1.00  0.00           C  
HETATM   37  O   UNL     1       1.311  -6.017   0.329  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.836  -3.472  -0.797  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.581  -1.307   0.815  1.00  0.00           O  
HETATM   40  N   UNL     1      -4.819   1.293   2.169  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.998   1.472   1.688  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.221   0.635   0.736  1.00  0.00           N  
HETATM   43  O   UNL     1      -7.639   1.734  -0.806  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.784   3.124  -3.318  1.00  0.00           O  
HETATM   45  O   UNL     1     -10.145   2.707   0.132  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.059   0.191   0.954  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.493  -0.885   1.614  1.00  0.00           O  
HETATM   48  H   UNL     1      12.524  -0.358  -1.099  1.00  0.00           H  
HETATM   49  H   UNL     1      11.857   1.142  -1.787  1.00  0.00           H  
HETATM   50  H   UNL     1      12.034   0.974  -0.024  1.00  0.00           H  
HETATM   51  H   UNL     1       9.523   1.628  -1.458  1.00  0.00           H  
HETATM   52  H   UNL     1       8.722   3.288   0.126  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.007  -3.909   1.216  1.00  0.00           H  
HETATM   54  H   UNL     1       3.659  -0.650   0.562  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.957  -1.818   1.990  1.00  0.00           H  
HETATM   56  H   UNL     1       8.185   3.835   2.519  1.00  0.00           H  
HETATM   57  H   UNL     1       9.005   2.334   3.010  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.645  -1.195  -0.984  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.939   1.538  -1.376  1.00  0.00           H  
HETATM   60  H   UNL     1       0.421  -3.926   1.645  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.914  -0.562  -0.595  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.689   1.172   1.601  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.757   0.894  -2.327  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.387  -0.317  -0.725  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.820   3.078  -2.970  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.845   3.882  -1.716  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.108   0.550   1.587  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.763  -0.622   2.756  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.977  -0.928  -0.138  1.00  0.00           H  
HETATM   70  H   UNL     1       8.044  -0.590   0.031  1.00  0.00           H  
HETATM   71  H   UNL     1       8.552  -1.048  -2.259  1.00  0.00           H  
HETATM   72  H   UNL     1      10.483   4.210   3.053  1.00  0.00           H  
HETATM   73  H   UNL     1       6.530   2.678   1.075  1.00  0.00           H  
HETATM   74  H   UNL     1       7.348   1.268   2.823  1.00  0.00           H  
HETATM   75  H   UNL     1       7.016   1.990  -1.240  1.00  0.00           H  
HETATM   76  H   UNL     1       5.703  -0.021  -2.403  1.00  0.00           H  
HETATM   77  H   UNL     1       4.923   1.546  -2.079  1.00  0.00           H  
HETATM   78  H   UNL     1       1.446  -1.776   1.163  1.00  0.00           H  
HETATM   79  H   UNL     1       0.440   0.724  -0.063  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.715  -5.973   0.733  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.249  -5.459  -0.906  1.00  0.00           H  
HETATM   82  H   UNL     1       1.359  -6.943   0.052  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.895  -4.380  -1.125  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.769   3.932  -3.848  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.910   2.680   0.723  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.049  -0.599   1.511  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.215  -1.074   2.228  1.00  0.00           H  
CONECT    1   20   48   49   50                                       
CONECT    2   21   20   23   51                                       
CONECT    3    6    6   29   30                                       
CONECT    4   25   23    8   52                                       
CONECT    5    7   38   11   53                                       
CONECT    6   32    3    3   54                                       
CONECT    7   39    5    9   55                                       
CONECT    8    4   24   56   57                                       
CONECT    9    7   34   33   58                                       
CONECT   10   12   14   45   59                                       
CONECT   11    5   36   35   60                                       
CONECT   12   13   46   10   61                                       
CONECT   13   47   15   12   62                                       
CONECT   14   43   10   16   63                                       
CONECT   15   42   13   43   64                                       
CONECT   16   14   44   65   66                                       
CONECT   17   18   19   19   40                                       
CONECT   18   17   39   67   68                                       
CONECT   19   17   17   42   69                                       
CONECT   20    2    1                                                 
CONECT   21   22   27    2   70                                       
CONECT   22   21   71                                                 
CONECT   23    2    4                                                 
CONECT   24    8   72                                                 
CONECT   25   27   26    4   73                                       
CONECT   26   25   74                                                 
CONECT   27   28   21   25   75                                       
CONECT   28   29   27                                                 
CONECT   29    3   28   76   77                                       
CONECT   30    3   31   31                                            
CONECT   31   32   30   30                                            
CONECT   32   33    6   31                                            
CONECT   33    9   35   32   78                                       
CONECT   34    9   79                                                 
CONECT   35   11   33                                                 
CONECT   36   11   37   80   81                                       
CONECT   37   36   82                                                 
CONECT   38    5   83                                                 
CONECT   39   18    7                                                 
CONECT   40   17   41   41                                            
CONECT   41   42   40   40                                            
CONECT   42   19   15   41                                            
CONECT   43   15   14                                                 
CONECT   44   16   84                                                 
CONECT   45   10   85                                                 
CONECT   46   12   86                                                 
CONECT   47   13   87                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
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
