COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.440  -2.430   3.836  1.00  0.00           O  
HETATM    2  N   UNL     1       0.531  -2.370   2.393  1.00  0.00           N  
HETATM    3  C   UNL     1       0.105  -1.053   1.896  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.401  -0.903   2.234  1.00  0.00           C  
HETATM    5  C   UNL     1       0.821   0.157   2.531  1.00  0.00           C  
HETATM    6  C   UNL     1       0.223  -1.015   0.349  1.00  0.00           C  
HETATM    7  C   UNL     1       1.572  -1.503  -0.216  1.00  0.00           C  
HETATM    8  O   UNL     1       1.482  -1.716  -1.638  1.00  0.00           O  
HETATM    9  C   UNL     1       1.436  -0.510  -2.397  1.00  0.00           C  
HETATM   10  C   UNL     1       2.634   0.385  -2.068  1.00  0.00           C  
HETATM   11  N   UNL     1       2.468   1.671  -2.717  1.00  0.00           N  
HETATM   12  C   UNL     1       3.525   2.450  -3.137  1.00  0.00           C  
HETATM   13  C   UNL     1       4.480   2.910  -2.204  1.00  0.00           C  
HETATM   14  C   UNL     1       5.559   3.699  -2.603  1.00  0.00           C  
HETATM   15  C   UNL     1       5.709   4.048  -3.945  1.00  0.00           C  
HETATM   16  N   UNL     1       6.791   4.839  -4.345  1.00  0.00           N  
HETATM   17  N   UNL     1       6.538   6.063  -4.307  1.00  0.00           N1+
HETATM   18  N   UNL     1       6.313   7.181  -4.274  1.00  0.00           N1-
HETATM   19  C   UNL     1       4.780   3.608  -4.888  1.00  0.00           C  
HETATM   20  C   UNL     1       3.702   2.819  -4.489  1.00  0.00           C  
HETATM   21  N   UNL     1       2.769   2.382  -5.472  1.00  0.00           N1+
HETATM   22  O   UNL     1       2.946   2.720  -6.666  1.00  0.00           O1-
HETATM   23  O   UNL     1       1.801   1.672  -5.114  1.00  0.00           O  
HETATM   24  C   UNL     1       2.694   0.585  -0.551  1.00  0.00           C  
HETATM   25  O   UNL     1       2.678  -0.667   0.130  1.00  0.00           O  
HETATM   26  C   UNL     1       3.935  -0.253  -2.575  1.00  0.00           C  
HETATM   27  O   UNL     1       3.831  -0.425  -3.975  1.00  0.00           O  
HETATM   28  P   UNL     1       5.058  -1.081  -4.805  1.00  0.00           P  
HETATM   29  O   UNL     1       5.363  -2.479  -4.051  1.00  0.00           O  
HETATM   30  O   UNL     1       4.831  -1.212  -6.283  1.00  0.00           O  
HETATM   31  O   UNL     1       6.311  -0.146  -4.396  1.00  0.00           O  
HETATM   32  P   UNL     1       7.885  -0.271  -4.741  1.00  0.00           P  
HETATM   33  O   UNL     1       8.502   1.097  -4.142  1.00  0.00           O  
HETATM   34  O   UNL     1       7.936  -0.041  -6.340  1.00  0.00           O  
HETATM   35  O   UNL     1       8.534  -1.533  -4.253  1.00  0.00           O  
HETATM   36  C   UNL     1       1.844  -2.900   0.373  1.00  0.00           C  
HETATM   37  C   UNL     1       1.773  -2.997   1.919  1.00  0.00           C  
HETATM   38  C   UNL     1       3.071  -2.470   2.565  1.00  0.00           C  
HETATM   39  C   UNL     1       1.687  -4.504   2.271  1.00  0.00           C  
HETATM   40  H   UNL     1      -0.438  -2.840   3.926  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.975  -1.731   1.808  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.553  -0.899   3.318  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.794   0.034   1.828  1.00  0.00           H  
HETATM   44  H   UNL     1       0.563   1.078   1.999  1.00  0.00           H  
HETATM   45  H   UNL     1       0.527   0.270   3.579  1.00  0.00           H  
HETATM   46  H   UNL     1       1.906   0.026   2.489  1.00  0.00           H  
HETATM   47  H   UNL     1       0.002   0.003   0.006  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.570  -1.640  -0.090  1.00  0.00           H  
HETATM   49  H   UNL     1       0.483   0.001  -2.215  1.00  0.00           H  
HETATM   50  H   UNL     1       1.438  -0.786  -3.458  1.00  0.00           H  
HETATM   51  H   UNL     1       1.526   1.999  -2.865  1.00  0.00           H  
HETATM   52  H   UNL     1       4.374   2.643  -1.155  1.00  0.00           H  
HETATM   53  H   UNL     1       6.277   4.037  -1.861  1.00  0.00           H  
HETATM   54  H   UNL     1       4.903   3.883  -5.934  1.00  0.00           H  
HETATM   55  H   UNL     1       3.616   1.106  -0.266  1.00  0.00           H  
HETATM   56  H   UNL     1       1.868   1.210  -0.191  1.00  0.00           H  
HETATM   57  H   UNL     1       4.078  -1.222  -2.100  1.00  0.00           H  
HETATM   58  H   UNL     1       4.776   0.399  -2.350  1.00  0.00           H  
HETATM   59  H   UNL     1       1.121  -3.605  -0.065  1.00  0.00           H  
HETATM   60  H   UNL     1       2.830  -3.250   0.034  1.00  0.00           H  
HETATM   61  H   UNL     1       3.049  -1.378   2.638  1.00  0.00           H  
HETATM   62  H   UNL     1       3.193  -2.879   3.573  1.00  0.00           H  
HETATM   63  H   UNL     1       3.942  -2.758   1.969  1.00  0.00           H  
HETATM   64  H   UNL     1       1.345  -4.639   3.302  1.00  0.00           H  
HETATM   65  H   UNL     1       0.986  -5.015   1.605  1.00  0.00           H  
HETATM   66  H   UNL     1       2.668  -4.979   2.169  1.00  0.00           H  
HETATM   67  H   UNL     1       6.009  -3.102  -4.448  1.00  0.00           H  
HETATM   68  H   UNL     1       9.475   1.223  -4.149  1.00  0.00           H  
HETATM   69  H   UNL     1       8.792  -0.147  -6.808  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    1    3   37                                            
CONECT    3    2    4    5    6                                       
CONECT    4    3   41   42   43                                       
CONECT    5    3   44   45   46                                       
CONECT    6    3    7   47   48                                       
CONECT    7    6    8   25   36                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   24   26                                       
CONECT   11   10   12   51                                            
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   15   20   20   54                                       
CONECT   20   12   19   19   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21                                                 
CONECT   24   10   25   55   56                                       
CONECT   25    7   24                                                 
CONECT   26   10   27   57   58                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   28   67                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   32   35                                                      
CONECT   33   32   68                                                 
CONECT   34   32   69                                                 
CONECT   35   32   32                                                 
CONECT   36    7   37   59   60                                       
CONECT   37    2   36   38   39                                       
CONECT   38   37   61   62   63                                       
CONECT   39   37   64   65   66                                       
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   19                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
