COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.410   3.473  -1.192  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.992   3.843   0.006  1.00  0.00           C  
HETATM    3  O   UNL     1       6.473   0.579  -0.007  1.00  0.00           O  
HETATM    4  C   UNL     1       5.858   1.628   0.005  1.00  0.00           C  
HETATM    5  C   UNL     1       4.384   1.618   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       3.672   2.816   0.015  1.00  0.00           C  
HETATM    7  C   UNL     1       2.289   2.803   0.017  1.00  0.00           C  
HETATM    8  C   UNL     1       1.592   1.612   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       2.274   0.401   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       3.680   0.398  -0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       4.084  -1.006  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1       2.958  -1.741  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1       2.907  -3.247  -0.042  1.00  0.00           C  
HETATM   14  N   UNL     1       1.864  -0.918  -0.004  1.00  0.00           N  
HETATM   15  C   UNL     1       0.540  -1.345  -0.005  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.429  -0.443  -0.004  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.703  -0.821  -0.002  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.716   0.124  -0.001  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.387   1.552   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.658   2.361   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.240   2.731   1.200  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.406   3.473   1.202  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.244   2.731  -1.194  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.005  -2.186  -0.004  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.443  -2.628   0.003  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.536  -4.005  -0.361  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.669  -4.851   0.405  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.224  -4.574  -0.014  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.969  -3.090  -0.007  1.00  0.00           C  
HETATM   30  N   UNL     1       0.281  -2.643  -0.012  1.00  0.00           N  
HETATM   31  N   UNL     1       6.524   2.800   0.016  1.00  0.00           N  
HETATM   32  H   UNL     1      -5.870   3.758  -2.127  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.903   4.423   0.008  1.00  0.00           H  
HETATM   34  H   UNL     1       4.202   3.757   0.020  1.00  0.00           H  
HETATM   35  H   UNL     1       1.748   3.738   0.023  1.00  0.00           H  
HETATM   36  H   UNL     1       0.512   1.620   0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       5.096  -1.383  -0.026  1.00  0.00           H  
HETATM   38  H   UNL     1       2.897  -3.621   0.982  1.00  0.00           H  
HETATM   39  H   UNL     1       2.005  -3.576  -0.558  1.00  0.00           H  
HETATM   40  H   UNL     1       3.784  -3.635  -0.562  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.644  -0.160   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.803   1.789   0.889  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.805   1.791  -0.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.783   2.440   2.135  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.860   3.763   2.138  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.789   2.441  -2.130  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.858  -2.489   1.001  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.009  -2.027  -0.708  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.791  -4.634   1.466  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.915  -5.895   0.214  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.544  -5.062   0.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.055  -4.966  -1.017  1.00  0.00           H  
HETATM   53  H   UNL     1       7.494   2.806   0.015  1.00  0.00           H  
HETATM   54  H   UNL     1       6.033   3.636   0.026  1.00  0.00           H  
CONECT    1    2    2   23   32                                       
CONECT    2    1    1   22   33                                       
CONECT    3    4    4                                                 
CONECT    4    3    3   31    5                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9   10   14    8    8                                       
CONECT   10   11    5    5    9                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   38   39   40                                       
CONECT   14   12    9   15                                            
CONECT   15   14   30   30   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   24   18                                       
CONECT   18   17   19   41                                            
CONECT   19   18   20   42   43                                       
CONECT   20   23   23   21   19                                       
CONECT   21   22   22   20   44                                       
CONECT   22    2   21   21   45                                       
CONECT   23    1   20   20   46                                       
CONECT   24   29   29   17   25                                       
CONECT   25   24   26   47   48                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   49   50                                       
CONECT   28   29   27   51   52                                       
CONECT   29   30   28   24   24                                       
CONECT   30   15   15   29                                            
CONECT   31    4   53   54                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
