COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.873   3.367  -0.212  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.376   1.923  -0.288  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.298   0.984   0.262  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.004   1.191  -0.531  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.592   2.664  -0.445  1.00  0.00           C  
HETATM    6  C   UNL     1       0.668   2.891  -1.284  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.793   2.096  -0.030  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.049   1.956   0.792  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.597   1.787   0.510  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.851   4.243  -0.775  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.730  -0.371   0.126  1.00  0.00           O  
HETATM   12  O   UNL     1       0.030   0.373   0.020  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.651   3.483  -0.943  1.00  0.00           O  
HETATM   14  O   UNL     1       1.114   4.238  -1.117  1.00  0.00           O  
HETATM   15  O   UNL     1      -5.858   2.486  -1.176  1.00  0.00           O  
HETATM   16  C   UNL     1       0.913  -0.184  -0.956  1.00  0.00           C  
HETATM   17  C   UNL     1       1.989  -1.016  -0.255  1.00  0.00           C  
HETATM   18  C   UNL     1       2.895  -1.659  -1.310  1.00  0.00           C  
HETATM   19  C   UNL     1       2.037  -2.500  -2.260  1.00  0.00           C  
HETATM   20  C   UNL     1       0.959  -1.610  -2.884  1.00  0.00           C  
HETATM   21  C   UNL     1       0.060  -2.456  -3.788  1.00  0.00           C  
HETATM   22  O   UNL     1       2.769  -0.171   0.594  1.00  0.00           O  
HETATM   23  O   UNL     1       3.858  -2.497  -0.667  1.00  0.00           O  
HETATM   24  O   UNL     1       1.417  -3.561  -1.531  1.00  0.00           O  
HETATM   25  O   UNL     1       0.172  -1.020  -1.847  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.873  -1.607  -4.460  1.00  0.00           O  
HETATM   27  C   UNL     1       3.576   0.774  -0.111  1.00  0.00           C  
HETATM   28  C   UNL     1       3.993   1.899   0.840  1.00  0.00           C  
HETATM   29  C   UNL     1       4.845   1.311   1.970  1.00  0.00           C  
HETATM   30  C   UNL     1       6.050   0.587   1.363  1.00  0.00           C  
HETATM   31  C   UNL     1       5.553  -0.487   0.391  1.00  0.00           C  
HETATM   32  C   UNL     1       6.752  -1.175  -0.265  1.00  0.00           C  
HETATM   33  O   UNL     1       2.828   2.515   1.392  1.00  0.00           O  
HETATM   34  O   UNL     1       5.300   2.364   2.823  1.00  0.00           O  
HETATM   35  O   UNL     1       6.867   1.526   0.660  1.00  0.00           O  
HETATM   36  O   UNL     1       4.743   0.122  -0.616  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.457  -0.865   1.252  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.974  -2.273   0.949  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.782  -3.208   0.720  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.877  -3.175   1.955  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.441  -1.731   2.219  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.585  -1.681   3.486  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.788  -2.241  -0.226  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.253  -4.540   0.508  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.594  -3.672   3.086  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.597  -0.910   2.393  1.00  0.00           O  
HETATM   47  H   UNL     1      -2.700   3.636   0.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.588   1.666  -1.326  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.122   1.207   1.314  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.167   0.919  -1.574  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.388   2.924   0.594  1.00  0.00           H  
HETATM   52  H   UNL     1       1.450   2.206  -0.957  1.00  0.00           H  
HETATM   53  H   UNL     1       0.442   2.711  -2.335  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.793   1.595   1.788  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.541   2.925   0.871  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.721   1.246   0.310  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.545   1.475   1.427  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.598   5.176  -0.759  1.00  0.00           H  
HETATM   59  H   UNL     1       1.910   4.454  -1.621  1.00  0.00           H  
HETATM   60  H   UNL     1       1.385   0.620  -1.520  1.00  0.00           H  
HETATM   61  H   UNL     1       1.516  -1.795   0.343  1.00  0.00           H  
HETATM   62  H   UNL     1       3.408  -0.879  -1.873  1.00  0.00           H  
HETATM   63  H   UNL     1       2.666  -2.917  -3.046  1.00  0.00           H  
HETATM   64  H   UNL     1       1.432  -0.825  -3.473  1.00  0.00           H  
HETATM   65  H   UNL     1       0.673  -2.977  -4.524  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.481  -3.184  -3.184  1.00  0.00           H  
HETATM   67  H   UNL     1       4.466  -2.936  -1.277  1.00  0.00           H  
HETATM   68  H   UNL     1       0.858  -4.135  -2.071  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.476  -2.077  -5.053  1.00  0.00           H  
HETATM   70  H   UNL     1       3.006   1.192  -0.940  1.00  0.00           H  
HETATM   71  H   UNL     1       4.574   2.642   0.294  1.00  0.00           H  
HETATM   72  H   UNL     1       4.247   0.607   2.549  1.00  0.00           H  
HETATM   73  H   UNL     1       6.633   0.120   2.157  1.00  0.00           H  
HETATM   74  H   UNL     1       4.964  -1.225   0.935  1.00  0.00           H  
HETATM   75  H   UNL     1       7.353  -1.666   0.500  1.00  0.00           H  
HETATM   76  H   UNL     1       6.398  -1.917  -0.981  1.00  0.00           H  
HETATM   77  H   UNL     1       7.359  -0.432  -0.782  1.00  0.00           H  
HETATM   78  H   UNL     1       2.239   2.904   0.731  1.00  0.00           H  
HETATM   79  H   UNL     1       4.588   2.871   3.237  1.00  0.00           H  
HETATM   80  H   UNL     1       7.650   1.135   0.249  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.300  -0.205   1.458  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.564  -2.635   1.791  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.222  -2.876  -0.154  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.998  -3.795   1.779  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.859  -1.366   1.373  1.00  0.00           H  
HETATM   86  H   UNL     1       0.297  -2.308   3.354  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.275  -0.653   3.675  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.167  -2.046   4.333  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.560  -1.663  -0.153  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.839  -4.634  -0.255  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.080  -3.680   3.905  1.00  0.00           H  
CONECT    1   10    2   13   47                                       
CONECT    2    9    1    3   48                                       
CONECT    3    2   11    4   49                                       
CONECT    4    5    3   12   50                                       
CONECT    5   13    4    6   51                                       
CONECT    6    5   14   52   53                                       
CONECT    7   15   15    8    9                                       
CONECT    8    7   54   55   56                                       
CONECT    9    7    2   57                                            
CONECT   10    1   58                                                 
CONECT   11    3   37                                                 
CONECT   12    4   16                                                 
CONECT   13    1    5                                                 
CONECT   14    6   59                                                 
CONECT   15    7    7                                                 
CONECT   16   12   25   17   60                                       
CONECT   17   16   22   18   61                                       
CONECT   18   17   19   23   62                                       
CONECT   19   20   24   18   63                                       
CONECT   20   25   21   19   64                                       
CONECT   21   26   20   65   66                                       
CONECT   22   17   27                                                 
CONECT   23   18   67                                                 
CONECT   24   19   68                                                 
CONECT   25   16   20                                                 
CONECT   26   21   69                                                 
CONECT   27   22   36   28   70                                       
CONECT   28   29   27   33   71                                       
CONECT   29   30   34   28   72                                       
CONECT   30   31   29   35   73                                       
CONECT   31   32   30   36   74                                       
CONECT   32   31   75   76   77                                       
CONECT   33   28   78                                                 
CONECT   34   29   79                                                 
CONECT   35   30   80                                                 
CONECT   36   31   27                                                 
CONECT   37   11   38   46   81                                       
CONECT   38   43   37   39   82                                       
CONECT   39   38   44   40   83                                       
CONECT   40   39   41   45   84                                       
CONECT   41   46   40   42   85                                       
CONECT   42   41   86   87   88                                       
CONECT   43   38   89                                                 
CONECT   44   39   90                                                 
CONECT   45   40   91                                                 
CONECT   46   37   41                                                 
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   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
