COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.619  -1.418   1.316  1.00  0.00           C  
HETATM    2  C   UNL     1       5.063  -1.640  -0.131  1.00  0.00           C  
HETATM    3  C   UNL     1       5.610  -0.330  -0.703  1.00  0.00           C  
HETATM    4  C   UNL     1       4.517   0.739  -0.664  1.00  0.00           C  
HETATM    5  C   UNL     1       4.072   0.961   0.783  1.00  0.00           C  
HETATM    6  C   UNL     1       3.525  -0.348   1.355  1.00  0.00           C  
HETATM    7  C   UNL     1       2.979   2.031   0.822  1.00  0.00           C  
HETATM    8  C   UNL     1       1.111  -0.395   1.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.053  -0.751   0.255  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.372  -0.339   0.910  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.536  -0.695  -0.018  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.855  -0.282   0.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.019  -0.638  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.338  -0.225   0.365  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.502  -0.581  -0.562  1.00  0.00           C  
HETATM   16  N   UNL     1       2.377  -0.792   0.553  1.00  0.00           N  
HETATM   17  O   UNL     1       3.527   3.288   0.421  1.00  0.00           O  
HETATM   18  O   UNL     1       5.028   1.962  -1.198  1.00  0.00           O  
HETATM   19  O   UNL     1       6.026  -0.538  -2.054  1.00  0.00           O  
HETATM   20  O   UNL     1       3.947  -2.071  -0.911  1.00  0.00           O  
HETATM   21  H   UNL     1       4.229  -2.351   1.724  1.00  0.00           H  
HETATM   22  H   UNL     1       5.842  -2.402  -0.159  1.00  0.00           H  
HETATM   23  H   UNL     1       6.462  -0.001  -0.107  1.00  0.00           H  
HETATM   24  H   UNL     1       3.665   0.410  -1.259  1.00  0.00           H  
HETATM   25  H   UNL     1       4.924   1.290   1.379  1.00  0.00           H  
HETATM   26  H   UNL     1       3.208  -0.190   2.386  1.00  0.00           H  
HETATM   27  H   UNL     1       2.174   1.752   0.143  1.00  0.00           H  
HETATM   28  H   UNL     1       2.586   2.112   1.836  1.00  0.00           H  
HETATM   29  H   UNL     1       1.115   0.679   1.363  1.00  0.00           H  
HETATM   30  H   UNL     1       0.995  -0.923   2.129  1.00  0.00           H  
HETATM   31  H   UNL     1       0.063  -0.224  -0.692  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.058  -1.826   0.074  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.488  -0.866   1.857  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.368   0.736   1.091  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.420  -0.167  -0.965  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.541  -1.769  -0.199  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.971  -0.809   1.585  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.851   0.793   0.819  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.903  -0.111  -1.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.023  -1.713  -0.471  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.454  -0.752   1.312  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.334   0.850   0.546  1.00  0.00           H  
HETATM   43  H   UNL     1       2.408  -1.788   0.398  1.00  0.00           H  
HETATM   44  H   UNL     1       2.889   4.014   0.423  1.00  0.00           H  
HETATM   45  H   UNL     1       5.329   1.896  -2.114  1.00  0.00           H  
HETATM   46  H   UNL     1       6.719  -1.204  -2.155  1.00  0.00           H  
HETATM   47  H   UNL     1       4.156  -2.231  -1.842  1.00  0.00           H  
HETATM   48  N   UNL     1      -8.765  -0.186   0.065  1.00  0.00           N  
HETATM   49  N   UNL     1      -9.437   0.558  -0.443  1.00  0.00           N1+
HETATM   50  N   UNL     1     -10.109   1.302  -0.952  1.00  0.00           N1-
HETATM   51  H   UNL     1      -7.386  -0.054  -1.509  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.506  -1.656  -0.743  1.00  0.00           H  
HETATM   53  H   UNL     1       5.470  -1.089   1.912  1.00  0.00           H  
CONECT    1    2    6   21   53                                       
CONECT    2   20    1    3   22                                       
CONECT    3    2   19    4   23                                       
CONECT    4    3    5   18   24                                       
CONECT    5    6    4    7   25                                       
CONECT    6    1   16    5   26                                       
CONECT    7    5   17   27   28                                       
CONECT    8    9   16   29   30                                       
CONECT    9   10    8   31   32                                       
CONECT   10   11    9   33   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   14   48   51   52                                       
CONECT   16    8    6   43                                            
CONECT   17    7   44                                                 
CONECT   18    4   45                                                 
CONECT   19    3   46                                                 
CONECT   20    2   47                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   15   49   49                                            
CONECT   49   48   48   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53    1                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
