COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.955  -1.288  -0.517  1.00  0.00           C  
HETATM    2  C   UNL     1       5.511   0.457   0.079  1.00  0.00           C  
HETATM    3  C   UNL     1       4.471   1.257   0.477  1.00  0.00           C  
HETATM    4  C   UNL     1       2.907  -0.495  -0.127  1.00  0.00           C  
HETATM    5  C   UNL     1       2.037   1.641   0.796  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.021  -4.345   1.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.916  -3.289   0.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.307  -2.727  -0.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.999  -2.156   0.703  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.781  -1.170  -0.447  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.063  -1.842  -1.538  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.969   0.001   0.043  1.00  0.00           C  
HETATM   13  N   UNL     1       0.326   0.021   0.098  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.503   1.181   0.480  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.931   1.501   0.550  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.369   2.128  -0.748  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.571   2.291  -1.640  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.491   1.999   0.840  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.576   3.132   1.278  1.00  0.00           O  
HETATM   20  C   UNL     1       0.739   1.229   0.587  1.00  0.00           C  
HETATM   21  C   UNL     1       3.153   0.790   0.377  1.00  0.00           C  
HETATM   22  C   UNL     1       5.261  -0.819  -0.415  1.00  0.00           C  
HETATM   23  O   UNL     1       6.295  -1.610  -0.797  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.647   2.507  -0.914  1.00  0.00           O  
HETATM   25  H   UNL     1       3.767  -2.280  -0.901  1.00  0.00           H  
HETATM   26  H   UNL     1       6.527   0.815   0.156  1.00  0.00           H  
HETATM   27  H   UNL     1       4.667   2.244   0.869  1.00  0.00           H  
HETATM   28  H   UNL     1       1.893  -0.860  -0.207  1.00  0.00           H  
HETATM   29  H   UNL     1       2.232   2.593   1.269  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.603  -5.192   0.975  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.022  -4.682   1.616  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.514  -3.914   2.210  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.503  -3.743  -0.664  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.232  -1.975  -0.851  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.959  -3.535  -0.398  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.720  -2.273   0.835  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.461  -1.637   1.544  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.040  -2.569   1.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.746  -0.817  -0.810  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.208  -2.260  -1.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.650  -2.529  -1.988  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.501   0.588   0.723  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.107   2.199   1.368  1.00  0.00           H  
HETATM   44  H   UNL     1       6.541  -1.513  -1.727  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.880   2.904  -1.764  1.00  0.00           H  
CONECT    1    4   22   22   25                                       
CONECT    2    3    3   22   26                                       
CONECT    3   21    2    2   27                                       
CONECT    4   21   21    1   28                                       
CONECT    5   20   20   21   29                                       
CONECT    6    7   30   31   32                                       
CONECT    7    8    9    6   33                                       
CONECT    8    7   34   35   36                                       
CONECT    9   10    7   37   38                                       
CONECT   10   11   12    9   39                                       
CONECT   11   10   40   41                                            
CONECT   12   14   10   13   13                                       
CONECT   13   12   12   20                                            
CONECT   14   15   18   12                                            
CONECT   15   14   16   42   43                                       
CONECT   16   15   17   17   24                                       
CONECT   17   16   16                                                 
CONECT   18   19   19   14   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   13    5    5                                       
CONECT   21    5    4    4    3                                       
CONECT   22    1    1    2   23                                       
CONECT   23   22   44                                                 
CONECT   24   16   45                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
