COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.514   0.260   0.286  1.00  0.00           C  
HETATM    2  C   UNL     1       4.445  -1.004  -0.294  1.00  0.00           C  
HETATM    3  C   UNL     1       5.140  -0.715   0.873  1.00  0.00           C  
HETATM    4  C   UNL     1       6.502  -0.935   0.936  1.00  0.00           C  
HETATM    5  C   UNL     1       7.174  -1.443  -0.161  1.00  0.00           C  
HETATM    6  C   UNL     1       6.484  -1.732  -1.324  1.00  0.00           C  
HETATM    7  C   UNL     1       5.122  -1.515  -1.394  1.00  0.00           C  
HETATM    8  C   UNL     1       0.679   1.670   0.869  1.00  0.00           C  
HETATM    9  C   UNL     1       0.785   2.922  -0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.088   2.739  -1.251  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.528   2.452  -0.820  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.789   1.423   1.221  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.959   0.916   0.337  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.804   0.696  -0.936  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.794  -0.389  -0.571  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.366  -1.050   0.565  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.059  -0.453   1.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.121  -2.088   1.085  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.299  -2.465   0.471  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.728  -1.805  -0.665  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.976  -0.769  -1.185  1.00  0.00           C  
HETATM   22  N   UNL     1       3.064  -0.788  -0.360  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.566   1.229  -0.009  1.00  0.00           N1+
HETATM   24  O   UNL     1       3.204   0.967   0.993  1.00  0.00           O  
HETATM   25  O   UNL     1       1.202   0.526   0.144  1.00  0.00           O  
HETATM   26  H   UNL     1       4.616  -0.317   1.730  1.00  0.00           H  
HETATM   27  H   UNL     1       7.043  -0.709   1.843  1.00  0.00           H  
HETATM   28  H   UNL     1       8.238  -1.614  -0.109  1.00  0.00           H  
HETATM   29  H   UNL     1       7.012  -2.128  -2.179  1.00  0.00           H  
HETATM   30  H   UNL     1       4.584  -1.740  -2.303  1.00  0.00           H  
HETATM   31  H   UNL     1       1.253   1.815   1.783  1.00  0.00           H  
HETATM   32  H   UNL     1       0.440   3.790   0.556  1.00  0.00           H  
HETATM   33  H   UNL     1       1.822   3.070  -0.307  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.062   3.648  -1.852  1.00  0.00           H  
HETATM   35  H   UNL     1       0.289   1.902  -1.840  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.904   3.289  -0.232  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.152   2.321  -1.704  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.868   0.533   1.844  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.181   2.283   1.766  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.389   1.703   0.956  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.329   1.613  -1.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.169   0.368  -1.759  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.224  -1.091   0.750  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.075  -0.322   2.124  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.787  -2.604   1.973  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.886  -3.275   0.879  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.649  -2.098  -1.146  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.311  -0.253  -2.073  1.00  0.00           H  
HETATM   49  H   UNL     1       2.502  -1.392  -0.870  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.172   0.465  -0.537  1.00  0.00           H  
CONECT    1   25   24   24   22                                       
CONECT    2   22    7    7    3                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   27                                       
CONECT    5    6    6    4   28                                       
CONECT    6    7    5    5   29                                       
CONECT    7    2    2    6   30                                       
CONECT    8    9   25   12   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   23   36   37                                       
CONECT   12    8   23   38   39                                       
CONECT   13   23   17   14   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   16   14   21   21                                       
CONECT   16   17   18   18   15                                       
CONECT   17   13   16   43   44                                       
CONECT   18   16   16   19   45                                       
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21   47                                       
CONECT   21   15   15   20   48                                       
CONECT   22    1    2   49                                            
CONECT   23   12   11   13   50                                       
CONECT   24    1    1                                                 
CONECT   25    8    1                                                 
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
