COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.123  -0.187   0.218  1.00  0.00           O  
HETATM    2  N   UNL     1       5.166  -0.845  -0.150  1.00  0.00           N1+
HETATM    3  O   UNL     1       5.334  -1.964  -0.600  1.00  0.00           O1-
HETATM    4  C   UNL     1       3.799  -0.287  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1       3.607   0.981   0.473  1.00  0.00           C  
HETATM    6  C   UNL     1       2.333   1.496   0.574  1.00  0.00           C  
HETATM    7  C   UNL     1       2.715  -1.030  -0.466  1.00  0.00           C  
HETATM    8  C   UNL     1       1.431  -0.517  -0.373  1.00  0.00           C  
HETATM    9  C   UNL     1       1.232   0.747   0.158  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.032   1.311   0.301  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.002   2.771   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.389   3.336   0.461  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.395   4.846   0.208  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.365   2.710  -0.376  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.413   1.285  -0.244  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.457   0.717  -1.209  1.00  0.00           C  
HETATM   17  C   UNL     1       0.288  -1.365  -0.871  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.041  -0.809  -0.353  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.036   0.707  -0.578  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.172  -1.100   1.115  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.336  -0.665   1.878  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.186  -1.826   1.605  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.144  -2.333   0.814  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.039  -2.986   1.311  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.137  -2.136  -0.513  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.175  -1.426  -1.120  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.223  -1.278  -2.322  1.00  0.00           O  
HETATM   28  H   UNL     1       4.455   1.566   0.797  1.00  0.00           H  
HETATM   29  H   UNL     1       2.185   2.487   0.978  1.00  0.00           H  
HETATM   30  H   UNL     1       2.868  -2.019  -0.873  1.00  0.00           H  
HETATM   31  H   UNL     1       0.733   3.198   0.821  1.00  0.00           H  
HETATM   32  H   UNL     1       0.264   3.019  -0.888  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.628   3.142   1.506  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.157   5.040  -0.837  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.382   5.248   0.437  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.651   5.324   0.846  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.681   1.022   0.779  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.021   0.629  -2.204  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.774  -0.266  -0.862  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.318   1.385  -1.247  1.00  0.00           H  
HETATM   41  H   UNL     1       0.282  -1.361  -1.961  1.00  0.00           H  
HETATM   42  H   UNL     1       0.414  -2.388  -0.514  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.793   0.921  -1.619  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.229  -1.989   2.560  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.849  -2.519  -1.049  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    2                                                      
CONECT    4    7    2    5    5                                       
CONECT    5    4    4    6   28                                       
CONECT    6    9    9    5   29                                       
CONECT    7    8    8    4   30                                       
CONECT    8   17    7    7    9                                       
CONECT    9    8   10    6    6                                       
CONECT   10   19    9   11                                            
CONECT   11   10   12   31   32                                       
CONECT   12   14   11   13   33                                       
CONECT   13   12   34   35   36                                       
CONECT   14   15   12                                                 
CONECT   15   16   19   14   37                                       
CONECT   16   15   38   39   40                                       
CONECT   17   18    8   41   42                                       
CONECT   18   26   20   17   19                                       
CONECT   19   18   15   10   43                                       
CONECT   20   22   18   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   44                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   45                                            
CONECT   26   25   27   27   18                                       
CONECT   27   26   26                                                 
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
