COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.047  -2.352  -0.185  1.00  0.00           O  
HETATM    2  C   UNL     1       0.995  -1.153  -0.016  1.00  0.00           C  
HETATM    3  N   UNL     1       2.132  -0.440   0.108  1.00  0.00           N  
HETATM    4  C   UNL     1       3.430  -1.114   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1       4.549  -0.084   0.208  1.00  0.00           C  
HETATM    6  C   UNL     1       5.906  -0.789   0.136  1.00  0.00           C  
HETATM    7  N   UNL     1       6.980   0.200   0.298  1.00  0.00           N  
HETATM    8  C   UNL     1       7.007   1.138  -0.832  1.00  0.00           C  
HETATM    9  C   UNL     1       8.038   2.236  -0.561  1.00  0.00           C  
HETATM   10  C   UNL     1       9.417   1.599  -0.369  1.00  0.00           C  
HETATM   11  C   UNL     1       9.349   0.591   0.782  1.00  0.00           C  
HETATM   12  C   UNL     1       8.281  -0.459   0.472  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.341  -0.458   0.049  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.386  -1.419  -0.114  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.662  -0.954  -0.081  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.901   0.401   0.100  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.196   0.876   0.134  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.264  -0.007  -0.013  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.658   0.501   0.023  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.021  -1.367  -0.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.725  -1.835  -0.232  1.00  0.00           C  
HETATM   22  H   UNL     1       2.090   0.520   0.243  1.00  0.00           H  
HETATM   23  H   UNL     1       3.497  -1.856   0.834  1.00  0.00           H  
HETATM   24  H   UNL     1       3.533  -1.607  -0.928  1.00  0.00           H  
HETATM   25  H   UNL     1       4.483   0.658  -0.587  1.00  0.00           H  
HETATM   26  H   UNL     1       4.447   0.409   1.175  1.00  0.00           H  
HETATM   27  H   UNL     1       5.972  -1.531   0.931  1.00  0.00           H  
HETATM   28  H   UNL     1       6.008  -1.281  -0.831  1.00  0.00           H  
HETATM   29  H   UNL     1       7.278   0.603  -1.742  1.00  0.00           H  
HETATM   30  H   UNL     1       6.022   1.587  -0.954  1.00  0.00           H  
HETATM   31  H   UNL     1       8.069   2.923  -1.406  1.00  0.00           H  
HETATM   32  H   UNL     1       7.760   2.781   0.342  1.00  0.00           H  
HETATM   33  H   UNL     1       9.712   1.087  -1.285  1.00  0.00           H  
HETATM   34  H   UNL     1      10.146   2.373  -0.133  1.00  0.00           H  
HETATM   35  H   UNL     1      10.317   0.103   0.895  1.00  0.00           H  
HETATM   36  H   UNL     1       9.092   1.110   1.705  1.00  0.00           H  
HETATM   37  H   UNL     1       8.220  -1.170   1.296  1.00  0.00           H  
HETATM   38  H   UNL     1       8.545  -0.987  -0.445  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.448   0.035   1.015  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.403   0.285  -0.747  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.073   1.085   0.214  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.381   1.931   0.275  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.847  -2.053  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.536  -2.888  -0.377  1.00  0.00           H  
HETATM   45  C   UNL     1      -7.727  -0.380  -0.124  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.022   0.098  -0.090  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.259   1.449   0.089  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.201   2.328   0.236  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.903   1.860   0.209  1.00  0.00           C  
HETATM   50  H   UNL     1      -7.544  -1.435  -0.264  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.851  -0.585  -0.204  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.273   1.818   0.115  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.391   3.382   0.375  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.077   2.548   0.324  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   13    1    1                                       
CONECT    3    4    2   22                                            
CONECT    4    5    3   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    7    5   27   28                                       
CONECT    7    8   12    6                                            
CONECT    8    9    7   29   30                                       
CONECT    9   10    8   31   32                                       
CONECT   10    9   11   33   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11    7   37   38                                       
CONECT   13   14    2   39   40                                       
CONECT   14   15   13                                                 
CONECT   15   16   14   21   21                                       
CONECT   16   17   17   15   41                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   45   49   49                                       
CONECT   20   18   18   21   43                                       
CONECT   21   15   15   20   44                                       
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   19   46   46   50                                       
CONECT   46   45   45   47   51                                       
CONECT   47   46   48   48   52                                       
CONECT   48   47   47   49   53                                       
CONECT   49   48   19   19   54                                       
CONECT   50   45                                                      
CONECT   51   46                                                      
CONECT   52   47                                                      
CONECT   53   48                                                      
CONECT   54   49                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
