COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.996  -1.544   0.951  1.00  0.00           C  
HETATM    2  C   UNL     1       4.817  -1.994   0.084  1.00  0.00           C  
HETATM    3  C   UNL     1       4.452  -0.869  -0.890  1.00  0.00           C  
HETATM    4  C   UNL     1       4.136   0.400  -0.092  1.00  0.00           C  
HETATM    5  C   UNL     1       5.341   0.757   0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       5.011   1.989   1.627  1.00  0.00           C  
HETATM    7  C   UNL     1       5.074  -4.409  -0.105  1.00  0.00           C  
HETATM    8  C   UNL     1       5.461  -5.642  -0.881  1.00  0.00           C  
HETATM    9  N   UNL     1       5.193  -3.192  -0.670  1.00  0.00           N  
HETATM   10  O   UNL     1       6.306  -2.566   1.901  1.00  0.00           O  
HETATM   11  O   UNL     1       3.306  -1.252  -1.653  1.00  0.00           O  
HETATM   12  O   UNL     1       3.864   1.475  -0.993  1.00  0.00           O  
HETATM   13  O   UNL     1       5.646  -0.343   1.642  1.00  0.00           O  
HETATM   14  O   UNL     1       6.174   2.396   2.350  1.00  0.00           O  
HETATM   15  O   UNL     1       4.655  -4.513   1.028  1.00  0.00           O  
HETATM   16  C   UNL     1       2.757   2.292  -0.606  1.00  0.00           C  
HETATM   17  C   UNL     1       2.723   3.551  -1.476  1.00  0.00           C  
HETATM   18  C   UNL     1       1.500   4.391  -1.097  1.00  0.00           C  
HETATM   19  C   UNL     1       0.238   3.539  -1.259  1.00  0.00           C  
HETATM   20  C   UNL     1       0.368   2.280  -0.397  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.863   1.394  -0.600  1.00  0.00           C  
HETATM   22  O   UNL     1       3.912   4.313  -1.260  1.00  0.00           O  
HETATM   23  O   UNL     1       1.419   5.532  -1.954  1.00  0.00           O  
HETATM   24  O   UNL     1       0.086   3.165  -2.630  1.00  0.00           O  
HETATM   25  O   UNL     1       1.541   1.561  -0.781  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.797   0.277   0.290  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.824  -1.637   1.306  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.962  -0.551   0.270  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.116  -1.183  -1.115  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.398  -2.020  -1.146  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.587  -1.127  -0.780  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.338  -0.496   0.593  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.494   0.444   0.939  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.185   1.169   2.251  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.340   2.110   2.598  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.503  -2.171  -1.865  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.760  -3.000  -1.818  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.809  -1.933  -0.734  1.00  0.00           N  
HETATM   39  O   UNL     1      -0.861  -1.657   2.035  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.772  -2.581   1.419  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.588  -2.555  -2.458  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.115   0.242   0.561  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.658   1.403  -0.107  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.021   0.211   3.298  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.002   2.872   3.759  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.115  -1.717  -2.921  1.00  0.00           O  
HETATM   47  H   UNL     1       6.864  -1.360   0.318  1.00  0.00           H  
HETATM   48  H   UNL     1       3.961  -2.218   0.720  1.00  0.00           H  
HETATM   49  H   UNL     1       5.290  -0.680  -1.560  1.00  0.00           H  
HETATM   50  H   UNL     1       3.266   0.225   0.541  1.00  0.00           H  
HETATM   51  H   UNL     1       6.200   0.971   0.147  1.00  0.00           H  
HETATM   52  H   UNL     1       4.686   2.800   0.975  1.00  0.00           H  
HETATM   53  H   UNL     1       4.213   1.745   2.329  1.00  0.00           H  
HETATM   54  H   UNL     1       4.595  -6.012  -1.430  1.00  0.00           H  
HETATM   55  H   UNL     1       6.257  -5.394  -1.583  1.00  0.00           H  
HETATM   56  H   UNL     1       5.811  -6.410  -0.192  1.00  0.00           H  
HETATM   57  H   UNL     1       5.529  -3.109  -1.577  1.00  0.00           H  
HETATM   58  H   UNL     1       7.045  -2.349   2.485  1.00  0.00           H  
HETATM   59  H   UNL     1       3.433  -2.053  -2.179  1.00  0.00           H  
HETATM   60  H   UNL     1       6.038   3.174   2.909  1.00  0.00           H  
HETATM   61  H   UNL     1       2.863   2.576   0.441  1.00  0.00           H  
HETATM   62  H   UNL     1       2.658   3.266  -2.526  1.00  0.00           H  
HETATM   63  H   UNL     1       1.589   4.718  -0.061  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.633   4.111  -0.939  1.00  0.00           H  
HETATM   65  H   UNL     1       0.442   2.564   0.652  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.764   1.971  -0.393  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.888   1.037  -1.629  1.00  0.00           H  
HETATM   68  H   UNL     1       4.727   3.842  -1.480  1.00  0.00           H  
HETATM   69  H   UNL     1       2.187   6.118  -1.902  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.002   3.915  -3.234  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.175  -0.398  -1.870  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.258  -1.823  -1.321  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.319  -2.835  -0.427  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.697  -0.342  -1.528  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.269  -1.281   1.346  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.411  -0.133   1.051  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.267   1.747   2.140  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.523   2.785   1.761  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.238   1.525   2.796  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.618  -2.350  -1.645  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.886  -3.523  -2.766  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.686  -3.727  -1.009  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.120  -2.296   0.110  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.639  -3.257   2.097  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.868  -3.126  -2.758  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.878   1.954  -0.262  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.800  -0.340   3.453  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.691   3.491   4.037  1.00  0.00           H  
CONECT    1    2   10   13   47                                       
CONECT    2    9    1    3   48                                       
CONECT    3    2   11    4   49                                       
CONECT    4    3    5   12   50                                       
CONECT    5   13    4    6   51                                       
CONECT    6    5   14   52   53                                       
CONECT    7    8   15   15    9                                       
CONECT    8    7   54   55   56                                       
CONECT    9    7    2   57                                            
CONECT   10    1   58                                                 
CONECT   11    3   59                                                 
CONECT   12    4   16                                                 
CONECT   13    1    5                                                 
CONECT   14    6   60                                                 
CONECT   15    7    7                                                 
CONECT   16   12   25   17   61                                       
CONECT   17   18   16   22   62                                       
CONECT   18   19   17   23   63                                       
CONECT   19   20   24   18   64                                       
CONECT   20   19   25   21   65                                       
CONECT   21   20   26   66   67                                       
CONECT   22   17   68                                                 
CONECT   23   18   69                                                 
CONECT   24   19   70                                                 
CONECT   25   20   16                                                 
CONECT   26   21   28                                                 
CONECT   27   28   39   39   40                                       
CONECT   28   26   27   42   29                                       
CONECT   29   28   30   71   72                                       
CONECT   30   29   31   41   73                                       
CONECT   31   30   38   32   74                                       
CONECT   32   42   31   33   75                                       
CONECT   33   32   34   43   76                                       
CONECT   34   33   44   35   77                                       
CONECT   35   34   45   78   79                                       
CONECT   36   38   46   46   37                                       
CONECT   37   36   80   81   82                                       
CONECT   38   31   36   83                                            
CONECT   39   27   27                                                 
CONECT   40   27   84                                                 
CONECT   41   30   85                                                 
CONECT   42   28   32                                                 
CONECT   43   33   86                                                 
CONECT   44   34   87                                                 
CONECT   45   35   88                                                 
CONECT   46   36   36                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
