COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.355  -0.006  -2.834  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.265   0.001  -1.633  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.634  -0.002  -1.807  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.472  -0.001  -0.702  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.859  -0.003  -0.555  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.837  -0.009  -1.645  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.145   0.000   0.761  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.266  -0.002   1.234  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.003   0.004   1.474  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.905   0.008   2.935  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.931   0.004   0.585  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.555   0.008   0.756  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.723   0.006  -0.353  1.00  0.00           C  
HETATM   14  N   UNL     1       0.669   0.004  -0.182  1.00  0.00           N  
HETATM   15  C   UNL     1       1.315   1.183  -0.104  1.00  0.00           C  
HETATM   16  O   UNL     1       0.688   2.222  -0.181  1.00  0.00           O  
HETATM   17  C   UNL     1       2.774   1.221   0.074  1.00  0.00           C  
HETATM   18  C   UNL     1       3.479  -0.001   0.161  1.00  0.00           C  
HETATM   19  C   UNL     1       3.479   2.412   0.159  1.00  0.00           C  
HETATM   20  C   UNL     1       4.859   2.397   0.327  1.00  0.00           C  
HETATM   21  C   UNL     1       5.556   1.226   0.412  1.00  0.00           C  
HETATM   22  C   UNL     1       4.879  -0.004   0.333  1.00  0.00           C  
HETATM   23  C   UNL     1       5.551  -1.236   0.418  1.00  0.00           C  
HETATM   24  C   UNL     1       4.849  -2.404   0.333  1.00  0.00           C  
HETATM   25  C   UNL     1       3.470  -2.415   0.163  1.00  0.00           C  
HETATM   26  C   UNL     1       2.769  -1.221   0.075  1.00  0.00           C  
HETATM   27  C   UNL     1       1.310  -1.178  -0.098  1.00  0.00           C  
HETATM   28  O   UNL     1       0.678  -2.214  -0.169  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.138  -1.036  -3.118  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.844   0.505  -3.663  1.00  0.00           H  
HETATM   31  H   UNL     1       0.575   0.507  -2.588  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.052  -0.006  -2.803  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.077  -1.038  -1.913  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.743   0.504  -1.323  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.418   0.503  -2.512  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.906   0.008   3.366  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.367  -0.880   3.266  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.370   0.900   3.261  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.133   0.012   1.750  1.00  0.00           H  
HETATM   40  H   UNL     1       2.955   3.355   0.095  1.00  0.00           H  
HETATM   41  H   UNL     1       5.392   3.333   0.391  1.00  0.00           H  
HETATM   42  H   UNL     1       6.628   1.244   0.542  1.00  0.00           H  
HETATM   43  H   UNL     1       6.622  -1.258   0.549  1.00  0.00           H  
HETATM   44  H   UNL     1       5.379  -3.343   0.400  1.00  0.00           H  
HETATM   45  H   UNL     1       2.942  -3.355   0.099  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    3   13    1                                       
CONECT    3    4    2    2   32                                       
CONECT    4    5   11   11    3                                       
CONECT    5    7    6    4                                            
CONECT    6    5   33   34   35                                       
CONECT    7    8    8    9    5                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   11                                            
CONECT   10    9   36   37   38                                       
CONECT   11    9    4    4   12                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12    2   14                                       
CONECT   14   15   13   27                                            
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   19   15   18   18                                       
CONECT   18   17   17   22   26                                       
CONECT   19   20   20   17   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   18   23                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   26   26   24   45                                       
CONECT   26   18   27   25   25                                       
CONECT   27   14   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
