COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.091   0.445  -0.239  1.00  0.00           C  
HETATM    2  C   UNL     1       2.545  -1.102  -0.146  1.00  0.00           C  
HETATM    3  C   UNL     1       4.380  -1.335  -1.667  1.00  0.00           C  
HETATM    4  C   UNL     1       4.966  -0.193  -1.151  1.00  0.00           C  
HETATM    5  C   UNL     1       4.352   0.500  -0.128  1.00  0.00           C  
HETATM    6  C   UNL     1       3.131   0.051   0.379  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.464   2.589  -0.841  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.429   1.170  -0.334  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.401   0.699   0.218  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.317   0.425  -0.494  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.084   1.004  -1.054  1.00  0.00           C  
HETATM   12  N   UNL     1       0.129  -1.012  -0.389  1.00  0.00           N  
HETATM   13  C   UNL     1       1.227  -1.594   0.395  1.00  0.00           C  
HETATM   14  C   UNL     1       3.172  -1.788  -1.165  1.00  0.00           C  
HETATM   15  C   UNL     1       2.461   0.794   1.466  1.00  0.00           C  
HETATM   16  O   UNL     1       2.970   1.966   1.894  1.00  0.00           O  
HETATM   17  O   UNL     1       1.452   0.349   1.974  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.087  -1.625  -0.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.087  -2.967   0.289  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.274  -3.604   0.595  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.470  -2.913   0.537  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.482  -1.579   0.175  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.293  -0.934  -0.131  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.123   2.528  -0.934  1.00  0.00           C  
HETATM   25  C   UNL     1       0.155   3.234  -0.478  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.040   3.129   0.471  1.00  0.00           C  
HETATM   27  H   UNL     1       1.024   0.874  -0.604  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.040   0.700   0.813  1.00  0.00           H  
HETATM   29  H   UNL     1       4.865  -1.874  -2.467  1.00  0.00           H  
HETATM   30  H   UNL     1       5.907   0.157  -1.550  1.00  0.00           H  
HETATM   31  H   UNL     1       4.810   1.391   0.274  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.174   2.607  -1.891  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.472   2.988  -0.735  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.769   3.198  -0.262  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.981   0.715  -2.100  1.00  0.00           H  
HETATM   36  H   UNL     1       1.188  -2.681   0.324  1.00  0.00           H  
HETATM   37  H   UNL     1       1.128  -1.293   1.438  1.00  0.00           H  
HETATM   38  H   UNL     1       2.720  -2.680  -1.572  1.00  0.00           H  
HETATM   39  H   UNL     1       2.497   2.415   2.608  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.156  -3.513   0.335  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.267  -4.645   0.880  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.396  -3.416   0.775  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.416  -1.040   0.130  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.749   3.042  -1.664  1.00  0.00           H  
HETATM   45  H   UNL     1       1.024   2.612  -0.264  1.00  0.00           H  
HETATM   46  H   UNL     1       0.371   4.212  -0.909  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.610   4.037   0.665  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.957   2.438   1.310  1.00  0.00           H  
CONECT    1   11   12   27   28                                       
CONECT    2   13   14   14    6                                       
CONECT    3   14    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    6    6    4   31                                       
CONECT    6    2   15    5    5                                       
CONECT    7    8   32   33   34                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   23   11                                            
CONECT   11   24   10    1   35                                       
CONECT   12   18    1   13                                            
CONECT   13   12    2   36   37                                       
CONECT   14    2    2    3   38                                       
CONECT   15   17   17    6   16                                       
CONECT   16   15   39                                                 
CONECT   17   15   15                                                 
CONECT   18   23   23   19   12                                       
CONECT   19   20   20   18   40                                       
CONECT   20   21   19   19   41                                       
CONECT   21   22   22   20   42                                       
CONECT   22   21   21   23   43                                       
CONECT   23   22   10   18   18                                       
CONECT   24   25   26   11   44                                       
CONECT   25   24   26   45   46                                       
CONECT   26   25   24   47   48                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
