COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.884   3.303   1.314  1.00  0.00           C  
HETATM    2  C   UNL     1       2.121   2.299   0.445  1.00  0.00           C  
HETATM    3  C   UNL     1       3.103   1.579  -0.480  1.00  0.00           C  
HETATM    4  C   UNL     1       3.847   0.489   0.293  1.00  0.00           C  
HETATM    5  C   UNL     1       3.526  -0.861  -0.298  1.00  0.00           C  
HETATM    6  O   UNL     1       3.723  -1.064  -1.473  1.00  0.00           O  
HETATM    7  C   UNL     1       2.964  -1.959   0.570  1.00  0.00           C  
HETATM    8  O   UNL     1       2.283  -1.388   1.686  1.00  0.00           O  
HETATM    9  C   UNL     1       2.002  -2.809  -0.261  1.00  0.00           C  
HETATM   10  O   UNL     1       2.744  -3.817  -0.956  1.00  0.00           O  
HETATM   11  C   UNL     1       0.960  -3.481   0.633  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.391  -2.849   0.402  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.480  -1.536   0.265  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.759  -0.832   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.968  -1.503   0.141  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.163  -0.793   0.071  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.376  -1.471   0.148  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.636  -0.728   0.075  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.152   0.588  -0.083  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.953   1.271  -0.200  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.954   2.618  -0.357  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.743   0.565  -0.154  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.466   1.241  -0.396  1.00  0.00           C  
HETATM   24  O   UNL     1       0.432   0.619  -0.939  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.250   2.531  -0.093  1.00  0.00           O  
HETATM   26  C   UNL     1       1.078   3.050  -0.388  1.00  0.00           C  
HETATM   27  C   UNL     1       1.129   4.540  -0.042  1.00  0.00           C  
HETATM   28  H   UNL     1       2.186   3.815   1.976  1.00  0.00           H  
HETATM   29  H   UNL     1       3.629   2.775   1.910  1.00  0.00           H  
HETATM   30  H   UNL     1       3.381   4.033   0.675  1.00  0.00           H  
HETATM   31  H   UNL     1       1.623   1.572   1.086  1.00  0.00           H  
HETATM   32  H   UNL     1       2.560   1.129  -1.311  1.00  0.00           H  
HETATM   33  H   UNL     1       3.823   2.299  -0.873  1.00  0.00           H  
HETATM   34  H   UNL     1       4.923   0.666   0.214  1.00  0.00           H  
HETATM   35  H   UNL     1       3.559   0.514   1.341  1.00  0.00           H  
HETATM   36  H   UNL     1       3.783  -2.586   0.928  1.00  0.00           H  
HETATM   37  H   UNL     1       2.844  -0.838   2.250  1.00  0.00           H  
HETATM   38  H   UNL     1       1.498  -2.175  -0.993  1.00  0.00           H  
HETATM   39  H   UNL     1       2.200  -4.398  -1.506  1.00  0.00           H  
HETATM   40  H   UNL     1       0.902  -4.544   0.382  1.00  0.00           H  
HETATM   41  H   UNL     1       1.237  -3.382   1.680  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.272  -3.472   0.349  1.00  0.00           H  
HETATM   43  H   UNL     1       0.435  -0.952   0.319  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.989  -2.575   0.269  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.386  -2.435   0.251  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.472  -1.423   0.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.683  -0.010   0.895  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.691  -0.198  -0.875  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.084   1.132  -0.112  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.927   3.111   0.474  1.00  0.00           H  
HETATM   51  H   UNL     1       1.294   2.917  -1.448  1.00  0.00           H  
HETATM   52  H   UNL     1       2.122   4.931  -0.264  1.00  0.00           H  
HETATM   53  H   UNL     1       0.387   5.076  -0.634  1.00  0.00           H  
HETATM   54  H   UNL     1       0.914   4.675   1.018  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3   26    1   31                                       
CONECT    3    4    2   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    9    8    5   36                                       
CONECT    8    7   37                                                 
CONECT    9   10    7   11   38                                       
CONECT   10    9   39                                                 
CONECT   11    9   12   40   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   15   15   22   13                                       
CONECT   15   16   14   14   44                                       
CONECT   16   17   19   19   15                                       
CONECT   17   16   18   45                                            
CONECT   18   17   46   47   48                                       
CONECT   19   16   16   20   49                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   50                                                 
CONECT   22   20   20   14   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26                                                 
CONECT   26    2   25   27   51                                       
CONECT   27   26   52   53   54                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
