COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.108   2.067   0.008  1.00  0.00           C  
HETATM    2  C   UNL     1       4.312   1.339  -0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       4.827   3.524  -0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.546  -0.647   1.074  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.773   0.997  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.448   1.484  -0.814  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.618   1.005   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       1.634  -3.994   0.104  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.339  -5.556   0.045  1.00  0.00           C  
HETATM   10  C   UNL     1       3.086  -0.613  -0.051  1.00  0.00           C  
HETATM   11  N   UNL     1       1.930   0.039  -0.004  1.00  0.00           N  
HETATM   12  C   UNL     1       1.895   1.365   0.026  1.00  0.00           C  
HETATM   13  N   UNL     1       4.252   0.009  -0.068  1.00  0.00           N  
HETATM   14  N   UNL     1       5.333   2.249  -0.048  1.00  0.00           N  
HETATM   15  C   UNL     1       3.486   3.480   0.034  1.00  0.00           C  
HETATM   16  O   UNL     1       0.713   2.026   0.073  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.422   1.293   0.218  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.391   0.096   0.921  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.734  -0.202   0.528  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.615   1.748  -0.322  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.976   1.447  -0.724  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.148   1.122  -0.143  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.157   0.538   0.920  1.00  0.00           O  
HETATM   24  N   UNL     1       3.069  -1.998  -0.080  1.00  0.00           N  
HETATM   25  C   UNL     1       1.844  -2.685  -0.186  1.00  0.00           C  
HETATM   26  N   UNL     1       0.323  -4.261  -0.132  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.284  -3.079  -0.574  1.00  0.00           N  
HETATM   28  C   UNL     1       0.625  -2.138  -0.612  1.00  0.00           C  
HETATM   29  H   UNL     1       5.419   4.427   0.000  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.518  -1.580   1.617  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.497   1.006  -1.793  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.505   2.566  -0.936  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.558   1.267  -0.438  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.560  -0.077   0.169  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.568   1.483   1.026  1.00  0.00           H  
HETATM   36  H   UNL     1       2.376  -4.697   0.455  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.728  -5.630   1.060  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.160  -5.645  -0.666  1.00  0.00           H  
HETATM   39  H   UNL     1       0.380  -6.358  -0.128  1.00  0.00           H  
HETATM   40  H   UNL     1       6.277   2.026  -0.081  1.00  0.00           H  
HETATM   41  H   UNL     1       2.815   4.325   0.072  1.00  0.00           H  
HETATM   42  H   UNL     1       0.536  -0.254   1.349  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.635  -0.787   0.646  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.643   2.684  -0.859  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.968   1.994  -1.526  1.00  0.00           H  
HETATM   46  H   UNL     1       3.900  -2.494  -0.027  1.00  0.00           H  
HETATM   47  H   UNL     1       0.463  -1.114  -0.915  1.00  0.00           H  
CONECT    1    2   15   12   12                                       
CONECT    2   14   13   13    1                                       
CONECT    3   14   15   15   29                                       
CONECT    4   18   18   19   30                                       
CONECT    5   19   19   20   21                                       
CONECT    6   22    7   31   32                                       
CONECT    7    6   33   34   35                                       
CONECT    8   25   25   26   36                                       
CONECT    9   26   37   38   39                                       
CONECT   10   13   24   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12    1    1   11   16                                       
CONECT   13    2    2   10                                            
CONECT   14    3    2   40                                            
CONECT   15    3    3    1   41                                       
CONECT   16   12   17                                                 
CONECT   17   18   16   20   20                                       
CONECT   18    4    4   17   42                                       
CONECT   19    4    5    5   43                                       
CONECT   20   17   17    5   44                                       
CONECT   21    5   22   45                                            
CONECT   22   21   23   23    6                                       
CONECT   23   22   22                                                 
CONECT   24   10   25   46                                            
CONECT   25   24   28    8    8                                       
CONECT   26    8   27    9                                            
CONECT   27   28   28   26                                            
CONECT   28   25   27   27   47                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
