COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.536  -0.398  -0.028  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.502  -1.312   0.993  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.843  -0.916   1.615  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.941   0.912  -0.552  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.866   2.230  -1.253  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.761   2.798  -2.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.553   0.634  -1.138  1.00  0.00           C  
HETATM    8  C   UNL     1       0.324  -0.013  -0.061  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.359  -1.287   0.444  1.00  0.00           C  
HETATM   10  C   UNL     1       0.480  -1.907   1.563  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.696  -0.309   0.590  1.00  0.00           N  
HETATM   12  N   UNL     1      -7.688  -0.774   0.338  1.00  0.00           N1+
HETATM   13  N   UNL     1      -8.680  -1.238   0.086  1.00  0.00           N1-
HETATM   14  N   UNL     1      -2.811   1.464  -1.594  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.807  -0.137   0.570  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.095   2.464  -0.085  1.00  0.00           O  
HETATM   17  O   UNL     1       0.041   1.863  -1.562  1.00  0.00           O  
HETATM   18  O   UNL     1       1.598  -0.343  -0.616  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.657  -0.963   0.947  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.092  -3.158   1.950  1.00  0.00           O  
HETATM   21  C   UNL     1       2.699  -0.078   0.256  1.00  0.00           C  
HETATM   22  C   UNL     1       3.972  -0.695  -0.328  1.00  0.00           C  
HETATM   23  C   UNL     1       5.157  -0.356   0.582  1.00  0.00           C  
HETATM   24  C   UNL     1       5.260   1.166   0.722  1.00  0.00           C  
HETATM   25  C   UNL     1       3.937   1.711   1.265  1.00  0.00           C  
HETATM   26  C   UNL     1       4.010   3.237   1.352  1.00  0.00           C  
HETATM   27  C   UNL     1       3.216  -2.704  -1.480  1.00  0.00           C  
HETATM   28  C   UNL     1       3.058  -4.200  -1.565  1.00  0.00           C  
HETATM   29  N   UNL     1       3.819  -2.149  -0.410  1.00  0.00           N  
HETATM   30  O   UNL     1       6.362  -0.867   0.007  1.00  0.00           O  
HETATM   31  O   UNL     1       5.527   1.747  -0.556  1.00  0.00           O  
HETATM   32  O   UNL     1       2.872   1.334   0.389  1.00  0.00           O  
HETATM   33  O   UNL     1       2.821   3.737   1.967  1.00  0.00           O  
HETATM   34  O   UNL     1       2.800  -1.999  -2.375  1.00  0.00           O  
HETATM   35  H   UNL     1      -2.660  -1.097  -0.855  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.677  -1.960   0.134  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.902  -1.843   1.732  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.333  -1.802   2.018  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.673  -0.198   2.418  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.854   1.626   0.267  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.570   2.097  -2.531  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.180   3.745  -1.984  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.182   2.963  -3.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.628   1.277  -2.528  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.644  -0.041  -1.988  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.462   2.327  -2.245  1.00  0.00           H  
HETATM   47  H   UNL     1       0.455   0.683   0.768  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.454  -1.998  -0.376  1.00  0.00           H  
HETATM   49  H   UNL     1       1.498  -2.068   1.206  1.00  0.00           H  
HETATM   50  H   UNL     1       0.498  -1.234   2.420  1.00  0.00           H  
HETATM   51  H   UNL     1       0.390  -3.609   2.657  1.00  0.00           H  
HETATM   52  H   UNL     1       2.499  -0.514   1.235  1.00  0.00           H  
HETATM   53  H   UNL     1       4.149  -0.290  -1.324  1.00  0.00           H  
HETATM   54  H   UNL     1       5.003  -0.803   1.564  1.00  0.00           H  
HETATM   55  H   UNL     1       6.067   1.415   1.412  1.00  0.00           H  
HETATM   56  H   UNL     1       3.753   1.298   2.258  1.00  0.00           H  
HETATM   57  H   UNL     1       4.876   3.525   1.948  1.00  0.00           H  
HETATM   58  H   UNL     1       4.103   3.653   0.349  1.00  0.00           H  
HETATM   59  H   UNL     1       3.489  -4.662  -0.676  1.00  0.00           H  
HETATM   60  H   UNL     1       1.999  -4.451  -1.627  1.00  0.00           H  
HETATM   61  H   UNL     1       3.571  -4.570  -2.452  1.00  0.00           H  
HETATM   62  H   UNL     1       4.151  -2.714   0.306  1.00  0.00           H  
HETATM   63  H   UNL     1       7.155  -0.688   0.532  1.00  0.00           H  
HETATM   64  H   UNL     1       5.600   2.711  -0.542  1.00  0.00           H  
HETATM   65  H   UNL     1       2.798   4.699   2.055  1.00  0.00           H  
CONECT    1    4   19   15   35                                       
CONECT    2   15    3   36   37                                       
CONECT    3    2   11   38   39                                       
CONECT    4    7   14    1   40                                       
CONECT    5   16   16   14    6                                       
CONECT    6    5   41   42   43                                       
CONECT    7   17    8    4   45                                       
CONECT    8   18    7    9   47                                       
CONECT    9    8   10   19   48                                       
CONECT   10    9   20   49   50                                       
CONECT   11    3   12   12                                            
CONECT   12   11   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    5    4   44                                            
CONECT   15    1    2                                                 
CONECT   16    5    5                                                 
CONECT   17    7   46                                                 
CONECT   18   21    8                                                 
CONECT   19    9    1                                                 
CONECT   20   10   51                                                 
CONECT   21   32   22   18   52                                       
CONECT   22   23   21   29   53                                       
CONECT   23   24   30   22   54                                       
CONECT   24   31   25   23   55                                       
CONECT   25   26   24   32   56                                       
CONECT   26   33   25   57   58                                       
CONECT   27   34   34   29   28                                       
CONECT   28   27   59   60   61                                       
CONECT   29   22   27   62                                            
CONECT   30   23   63                                                 
CONECT   31   24   64                                                 
CONECT   32   25   21                                                 
CONECT   33   26   65                                                 
CONECT   34   27   27                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44   14                                                      
CONECT   45    7                                                      
CONECT   46   17                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
