COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.377  -0.227  -9.328  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.335  -2.730  -8.525  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.202  -1.434  -8.901  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.592  -0.812  -6.888  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.925   0.451  -6.861  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.887   0.976  -5.425  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.149   0.069  -4.577  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.103   2.306  -5.357  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.001   3.417  -5.359  1.00  0.00           O  
HETATM   10  C   UNL     1       0.658   2.226  -4.013  1.00  0.00           C  
HETATM   11  O   UNL     1       0.255   3.287  -3.145  1.00  0.00           O  
HETATM   12  C   UNL     1       0.245   0.855  -3.432  1.00  0.00           C  
HETATM   13  N   UNL     1       1.380   0.228  -2.750  1.00  0.00           N  
HETATM   14  C   UNL     1       2.336  -0.553  -3.329  1.00  0.00           C  
HETATM   15  N   UNL     1       3.188  -0.938  -2.427  1.00  0.00           N  
HETATM   16  C   UNL     1       2.825  -0.424  -1.220  1.00  0.00           C  
HETATM   17  C   UNL     1       3.521  -0.622   0.052  1.00  0.00           C  
HETATM   18  O   UNL     1       3.092  -0.105   1.068  1.00  0.00           O  
HETATM   19  N   UNL     1       4.637  -1.375   0.100  1.00  0.00           N  
HETATM   20  N   UNL     1       0.957   1.011  -0.463  1.00  0.00           N  
HETATM   21  C   UNL     1       1.669   0.316  -1.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.217   0.193  -0.133  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.410   0.090   2.213  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.130  -0.727   3.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.642   0.034   4.700  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.362  -0.782   5.963  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.873  -0.020   7.187  1.00  0.00           C  
HETATM   28  N   UNL     1       0.080  -0.641   1.037  1.00  0.00           N  
HETATM   29  O   UNL     1       1.276  -0.942   3.602  1.00  0.00           O  
HETATM   30  O   UNL     1       0.025   1.294   4.790  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.030  -2.042   5.872  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.612  -0.784   8.366  1.00  0.00           O  
HETATM   33  P   UNL     1      -1.173   0.072   9.609  1.00  0.00           P  
HETATM   34  O   UNL     1      -2.626   0.295   9.438  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.911  -0.732  10.978  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.416   1.492   9.667  1.00  0.00           O  
HETATM   37  P   UNL     1      -1.596  -1.304  -8.421  1.00  0.00           P  
HETATM   38  H   UNL     1      -3.279  -0.172  -8.982  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.316  -2.987  -9.457  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.463   1.158  -7.493  1.00  0.00           H  
HETATM   41  H   UNL     1       0.092   0.333  -7.233  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.899   1.113  -5.044  1.00  0.00           H  
HETATM   43  H   UNL     1       0.596   2.380  -6.190  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.457   4.216  -5.316  1.00  0.00           H  
HETATM   45  H   UNL     1       1.734   2.259  -4.182  1.00  0.00           H  
HETATM   46  H   UNL     1       0.485   4.114  -3.590  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.592   0.972  -2.744  1.00  0.00           H  
HETATM   48  H   UNL     1       2.378  -0.811  -4.377  1.00  0.00           H  
HETATM   49  H   UNL     1       5.098  -1.506   0.943  1.00  0.00           H  
HETATM   50  H   UNL     1       4.977  -1.790  -0.707  1.00  0.00           H  
HETATM   51  H   UNL     1       1.533   1.038   0.364  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.062   0.844   0.089  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.464  -0.445  -0.981  1.00  0.00           H  
HETATM   54  H   UNL     1       0.099   1.051   2.281  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.483   0.253   2.116  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.640  -1.688   3.407  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.715   0.198   4.603  1.00  0.00           H  
HETATM   58  H   UNL     1       0.710  -0.946   6.059  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.364   0.940   7.256  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.947   0.143   7.090  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.487  -1.471   0.954  1.00  0.00           H  
HETATM   62  H   UNL     1       1.688  -0.069   3.660  1.00  0.00           H  
HETATM   63  H   UNL     1       0.970   1.105   4.874  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.974  -1.852   5.788  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.261  -0.186  11.695  1.00  0.00           H  
HETATM   66  H   UNL     1       0.525   1.302   9.779  1.00  0.00           H  
CONECT    1   37   38                                                 
CONECT    2   37   39                                                 
CONECT    3   37   37                                                 
CONECT    4    5   37                                                 
CONECT    5    4    6   40   41                                       
CONECT    6    5    7    8   42                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   43                                       
CONECT    9    8   44                                                 
CONECT   10    8   11   12   45                                       
CONECT   11   10   46                                                 
CONECT   12    7   10   13   47                                       
CONECT   13   12   14   21                                            
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   21   21                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   49   50                                            
CONECT   20   21   22   51                                            
CONECT   21   13   16   16   20                                       
CONECT   22   20   28   52   53                                       
CONECT   23   24   28   54   55                                       
CONECT   24   23   25   29   56                                       
CONECT   25   24   26   30   57                                       
CONECT   26   25   27   31   58                                       
CONECT   27   26   32   59   60                                       
CONECT   28   22   23   61                                            
CONECT   29   24   62                                                 
CONECT   30   25   63                                                 
CONECT   31   26   64                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   33   36                                                      
CONECT   34   33   33                                                 
CONECT   35   33   65                                                 
CONECT   36   33   66                                                 
CONECT   37    1    2    3    3                                       
CONECT   37    4                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
