COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.951   0.432   0.775  1.00  0.00           C  
HETATM    2  N   UNL     1       8.615   0.142   1.302  1.00  0.00           N  
HETATM    3  C   UNL     1       7.538   0.239   0.498  1.00  0.00           C  
HETATM    4  O   UNL     1       7.675   0.567  -0.664  1.00  0.00           O  
HETATM    5  N   UNL     1       6.309  -0.027   0.983  1.00  0.00           N  
HETATM    6  C   UNL     1       5.206   0.072   0.159  1.00  0.00           C  
HETATM    7  N   UNL     1       5.352   0.423  -1.086  1.00  0.00           N  
HETATM    8  N   UNL     1       3.952  -0.200   0.653  1.00  0.00           N  
HETATM    9  C   UNL     1       2.781  -0.094  -0.221  1.00  0.00           C  
HETATM   10  C   UNL     1       1.520  -0.447   0.571  1.00  0.00           C  
HETATM   11  C   UNL     1       0.287  -0.218  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.978  -0.451   0.523  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.054  -1.862   0.910  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.104  -2.819  -0.038  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.086  -2.513  -1.211  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.183  -4.270   0.361  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.226  -5.105  -0.842  1.00  0.00           N1-
HETATM   18  N   UNL     1      -1.294  -6.349  -0.738  1.00  0.00           N1+
HETATM   19  N   UNL     1      -1.349  -7.378  -0.651  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.189  -0.089  -0.297  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.627  -0.874  -1.111  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.785   1.108  -0.126  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.197   2.096   0.781  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.344   3.056  -0.006  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.926   4.139  -0.640  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.143   5.019  -1.363  1.00  0.00           C  
HETATM   27  C   UNL     1       0.222   4.817  -1.453  1.00  0.00           C  
HETATM   28  C   UNL     1       0.804   3.735  -0.820  1.00  0.00           C  
HETATM   29  C   UNL     1       0.022   2.858  -0.091  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.022   1.420  -0.847  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.207   1.108   0.029  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.712  -0.178   0.078  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.796  -0.465   0.886  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.375   0.533   1.646  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.870   1.819   1.598  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.786   2.107   0.790  1.00  0.00           C  
HETATM   37  H   UNL     1       9.984   1.459   0.414  1.00  0.00           H  
HETATM   38  H   UNL     1      10.690   0.301   1.566  1.00  0.00           H  
HETATM   39  H   UNL     1      10.174  -0.250  -0.046  1.00  0.00           H  
HETATM   40  H   UNL     1       8.506  -0.119   2.230  1.00  0.00           H  
HETATM   41  H   UNL     1       6.200  -0.289   1.911  1.00  0.00           H  
HETATM   42  H   UNL     1       4.577   0.493  -1.665  1.00  0.00           H  
HETATM   43  H   UNL     1       3.843  -0.461   1.581  1.00  0.00           H  
HETATM   44  H   UNL     1       2.700   0.925  -0.599  1.00  0.00           H  
HETATM   45  H   UNL     1       2.890  -0.784  -1.058  1.00  0.00           H  
HETATM   46  H   UNL     1       1.562  -1.493   0.873  1.00  0.00           H  
HETATM   47  H   UNL     1       1.459   0.186   1.456  1.00  0.00           H  
HETATM   48  H   UNL     1       0.293   0.806  -0.680  1.00  0.00           H  
HETATM   49  H   UNL     1       0.305  -0.912  -1.146  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.945   0.170   1.418  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.069  -2.107   1.848  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.307  -4.533   0.954  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.085  -4.437   0.951  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.992   2.646   1.285  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.581   1.587   1.523  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.992   4.296  -0.570  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.598   5.864  -1.858  1.00  0.00           H  
HETATM   58  H   UNL     1       0.833   5.505  -2.018  1.00  0.00           H  
HETATM   59  H   UNL     1       1.870   3.578  -0.890  1.00  0.00           H  
HETATM   60  H   UNL     1       0.477   2.013   0.404  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.032   2.478  -1.109  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.074   0.820  -1.756  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.259  -0.958  -0.516  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.190  -1.470   0.923  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.222   0.309   2.277  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.322   2.599   2.192  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.389   3.110   0.756  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3   40                                            
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   41                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6   42                                            
CONECT    8    6    9   43                                            
CONECT    9   10    8   44   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   20   11   50                                       
CONECT   13   14   12   51                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   52   53                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   19   17                                       
CONECT   19   18   18   18                                            
CONECT   20   12   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   30   23                                            
CONECT   23   24   22   54   55                                       
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   56                                       
CONECT   26   27   25   25   57                                       
CONECT   27   28   28   26   58                                       
CONECT   28   27   27   29   59                                       
CONECT   29   28   24   24   60                                       
CONECT   30   31   22   61   62                                       
CONECT   31   32   32   36   30                                       
CONECT   32   33   31   31   63                                       
CONECT   33   34   34   32   64                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   36   36   66                                       
CONECT   36   35   35   31   67                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
