COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.041   1.135 -11.695  1.00  0.00           N  
HETATM    2  C   UNL     1       0.166   2.281 -12.412  1.00  0.00           C  
HETATM    3  C   UNL     1       0.917   0.194 -11.613  1.00  0.00           C  
HETATM    4  O   UNL     1       0.711  -0.816 -10.970  1.00  0.00           O  
HETATM    5  N   UNL     1       2.101   0.357 -12.233  1.00  0.00           N  
HETATM    6  C   UNL     1       2.343   1.471 -12.953  1.00  0.00           C  
HETATM    7  O   UNL     1       3.414   1.619 -13.515  1.00  0.00           O  
HETATM    8  C   UNL     1       1.345   2.471 -13.043  1.00  0.00           C  
HETATM    9  C   UNL     1       1.592   3.727 -13.839  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.646  -0.860  -7.835  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.092  -0.193  -9.138  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.095   0.744  -9.602  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.319   0.929 -11.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.999  -0.347 -11.540  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.175  -1.233 -10.284  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.447  -1.884 -10.292  1.00  0.00           O  
HETATM   17  P   UNL     1      -1.106  -0.648  -5.463  1.00  0.00           P  
HETATM   18  O   UNL     1       0.336  -1.317  -5.712  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.087  -1.703  -5.127  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.579   0.119  -6.797  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.008   0.401  -4.246  1.00  0.00           O  
HETATM   22  P   UNL     1      -0.533  -0.429  -2.952  1.00  0.00           P  
HETATM   23  O   UNL     1       0.784  -1.047  -3.219  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.610  -1.581  -2.628  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.413   0.564  -1.690  1.00  0.00           O  
HETATM   26  P   UNL     1       0.063  -0.328  -0.439  1.00  0.00           P  
HETATM   27  O   UNL     1      -0.936  -1.389  -0.179  1.00  0.00           O  
HETATM   28  O   UNL     1       1.486  -1.003  -0.772  1.00  0.00           O  
HETATM   29  O   UNL     1       0.204   0.605   0.864  1.00  0.00           O  
HETATM   30  P   UNL     1       0.681  -0.347   2.071  1.00  0.00           P  
HETATM   31  O   UNL     1       2.094  -1.021   1.695  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.327  -1.407   2.291  1.00  0.00           O  
HETATM   33  O   UNL     1       0.843   0.527   3.413  1.00  0.00           O  
HETATM   34  P   UNL     1       1.320  -0.483   4.572  1.00  0.00           P  
HETATM   35  O   UNL     1       0.211  -1.634   4.770  1.00  0.00           O  
HETATM   36  O   UNL     1       2.609  -1.100   4.188  1.00  0.00           O  
HETATM   37  O   UNL     1       1.502   0.328   5.950  1.00  0.00           O  
HETATM   38  C   UNL     1       1.924  -0.618   6.934  1.00  0.00           C  
HETATM   39  C   UNL     1       2.117   0.092   8.275  1.00  0.00           C  
HETATM   40  O   UNL     1       0.870   0.657   8.713  1.00  0.00           O  
HETATM   41  C   UNL     1       0.849   0.568  10.154  1.00  0.00           C  
HETATM   42  C   UNL     1       1.468  -0.823  10.439  1.00  0.00           C  
HETATM   43  O   UNL     1       2.046  -0.866  11.745  1.00  0.00           O  
HETATM   44  C   UNL     1       2.564  -0.921   9.346  1.00  0.00           C  
HETATM   45  O   UNL     1       3.839  -0.562   9.883  1.00  0.00           O  
HETATM   46  N   UNL     1      -0.525   0.637  10.655  1.00  0.00           N  
HETATM   47  C   UNL     1      -0.920   1.116  11.879  1.00  0.00           C  
HETATM   48  N   UNL     1      -0.294   1.639  12.928  1.00  0.00           N  
HETATM   49  C   UNL     1      -0.971   2.024  13.990  1.00  0.00           C  
HETATM   50  N   UNL     1      -2.285   1.918  14.070  1.00  0.00           N  
HETATM   51  C   UNL     1      -2.996   1.411  13.068  1.00  0.00           C  
HETATM   52  N   UNL     1      -4.373   1.304  13.161  1.00  0.00           N  
HETATM   53  C   UNL     1      -2.319   0.987  11.913  1.00  0.00           C  
HETATM   54  N   UNL     1      -2.697   0.439  10.733  1.00  0.00           N  
HETATM   55  C   UNL     1      -1.646   0.233   9.993  1.00  0.00           C  
HETATM   56  H   UNL     1      -0.607   3.032 -12.472  1.00  0.00           H  
HETATM   57  H   UNL     1       2.781  -0.330 -12.164  1.00  0.00           H  
HETATM   58  H   UNL     1       2.593   3.693 -14.269  1.00  0.00           H  
HETATM   59  H   UNL     1       0.855   3.801 -14.638  1.00  0.00           H  
HETATM   60  H   UNL     1       1.507   4.594 -13.184  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.363  -1.633  -7.559  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.663  -1.309  -7.975  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.052   0.305  -9.003  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.968   1.790 -11.171  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.968  -0.109 -11.978  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.360  -0.843 -12.271  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.368  -1.962 -10.206  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.468  -2.447 -11.079  1.00  0.00           H  
HETATM   69  H   UNL     1       0.945  -0.597  -5.928  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.452  -1.136  -2.460  1.00  0.00           H  
HETATM   71  H   UNL     1       2.107  -0.279  -0.934  1.00  0.00           H  
HETATM   72  H   UNL     1       2.722  -0.297   1.560  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.610  -1.190   5.018  1.00  0.00           H  
HETATM   74  H   UNL     1       1.166  -1.394   7.040  1.00  0.00           H  
HETATM   75  H   UNL     1       2.866  -1.070   6.624  1.00  0.00           H  
HETATM   76  H   UNL     1       2.865   0.878   8.174  1.00  0.00           H  
HETATM   77  H   UNL     1       1.458   1.357  10.596  1.00  0.00           H  
HETATM   78  H   UNL     1       0.725  -1.611  10.318  1.00  0.00           H  
HETATM   79  H   UNL     1       2.412  -1.754  11.860  1.00  0.00           H  
HETATM   80  H   UNL     1       2.597  -1.927   8.928  1.00  0.00           H  
HETATM   81  H   UNL     1       4.035  -1.197  10.586  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.431   2.441  14.827  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.829   1.600  13.964  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.881   0.932  12.423  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.660  -0.193   9.002  1.00  0.00           H  
CONECT    1    2    3   13                                            
CONECT    2    1    8    8   56                                       
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   57                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    2    2    6    9                                       
CONECT    9    8   58   59   60                                       
CONECT   10   11   20   61   62                                       
CONECT   11   10   12   15   63                                       
CONECT   12   11   13                                                 
CONECT   13    1   12   14   64                                       
CONECT   14   13   15   65   66                                       
CONECT   15   11   14   16   67                                       
CONECT   16   15   68                                                 
CONECT   17   18   19   19   20                                       
CONECT   17   21                                                      
CONECT   18   17   69                                                 
CONECT   19   17   17                                                 
CONECT   20   10   17                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   70                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   71                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   32   32                                       
CONECT   30   33                                                      
CONECT   31   30   72                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   36   36                                       
CONECT   34   37                                                      
CONECT   35   34   73                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   74   75                                       
CONECT   39   38   40   44   76                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   46   77                                       
CONECT   42   41   43   44   78                                       
CONECT   43   42   79                                                 
CONECT   44   39   42   45   80                                       
CONECT   45   44   81                                                 
CONECT   46   41   47   55                                            
CONECT   47   46   48   53   53                                       
CONECT   48   47   49   49                                            
CONECT   49   48   48   50   82                                       
CONECT   50   49   51   51                                            
CONECT   51   50   50   52   53                                       
CONECT   52   51   83   84                                            
CONECT   53   47   47   51   54                                       
CONECT   54   53   55   55                                            
CONECT   55   46   54   54   85                                       
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   24                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   35                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   49                                                      
CONECT   83   52                                                      
CONECT   84   52                                                      
CONECT   85   55                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
