COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.050   0.693  -0.569  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.432   1.261  -0.238  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.469   0.680  -1.203  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.424   3.323   0.458  1.00  0.00           C  
HETATM    5  C   UNL     1       2.318   1.500   0.588  1.00  0.00           C  
HETATM    6  C   UNL     1       3.796  -0.269  -0.047  1.00  0.00           C  
HETATM    7  C   UNL     1       2.716  -1.016  -0.478  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429  -0.512  -0.375  1.00  0.00           C  
HETATM    9  C   UNL     1       0.286  -1.369  -0.868  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.041  -0.822  -0.334  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.183  -1.454  -1.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.111  -2.336   0.854  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.143  -1.101   1.139  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.394   2.685  -0.376  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.442   4.831   0.200  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.026   2.766   0.132  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.044   1.307   0.300  1.00  0.00           N  
HETATM   18  C   UNL     1       1.222   0.749   0.160  1.00  0.00           C  
HETATM   19  C   UNL     1       3.595   0.993   0.484  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.253  -1.305  -2.407  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.107  -2.140  -0.472  1.00  0.00           N  
HETATM   22  O   UNL     1      -4.006  -2.990   1.355  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.151  -1.829   1.644  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.296  -0.660   1.887  1.00  0.00           O  
HETATM   25  N   UNL     1       5.167  -0.815  -0.158  1.00  0.00           N1+
HETATM   26  O   UNL     1       5.345  -1.923  -0.631  1.00  0.00           O1-
HETATM   27  O   UNL     1       6.118  -0.155   0.222  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.809   0.902  -1.612  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.699   0.998   0.785  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.782  -0.303  -0.851  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.333   1.342  -1.248  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.029   0.588  -2.196  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.661   3.131   1.504  1.00  0.00           H  
HETATM   34  H   UNL     1       2.164   2.485   1.003  1.00  0.00           H  
HETATM   35  H   UNL     1       2.877  -2.000  -0.893  1.00  0.00           H  
HETATM   36  H   UNL     1       0.269  -1.360  -1.958  1.00  0.00           H  
HETATM   37  H   UNL     1       0.423  -2.392  -0.517  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.433   5.227   0.426  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.703   5.318   0.835  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.205   5.023  -0.847  1.00  0.00           H  
HETATM   41  H   UNL     1       0.235   3.015  -0.896  1.00  0.00           H  
HETATM   42  H   UNL     1       0.707   3.201   0.812  1.00  0.00           H  
HETATM   43  H   UNL     1       4.439   1.579   0.817  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.000  -1.723  -2.857  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.187  -1.992   2.600  1.00  0.00           H  
CONECT    1   17    2   10   28                                       
CONECT    2   14    1    3   29                                       
CONECT    3    2   30   31   32                                       
CONECT    4   15   16   14   33                                       
CONECT    5   19   19   18   34                                       
CONECT    6   19   25    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8   18   18    7    9                                       
CONECT    9    8   10   36   37                                       
CONECT   10    1    9   13   11                                       
CONECT   11   10   20   21   21                                       
CONECT   12   23   21   22   22                                       
CONECT   13   24   24   10   23                                       
CONECT   14    4    2                                                 
CONECT   15    4   38   39   40                                       
CONECT   16    4   17   41   42                                       
CONECT   17   16   18    1                                            
CONECT   18    5   17    8    8                                       
CONECT   19    5    5    6   43                                       
CONECT   20   11   44                                                 
CONECT   21   11   11   12                                            
CONECT   22   12   12                                                 
CONECT   23   13   12   45                                            
CONECT   24   13   13                                                 
CONECT   25   27   27    6   26                                       
CONECT   26   25                                                      
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
