COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.855  -0.743  -7.732  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.751   0.501  -6.422  1.00  0.00           C  
HETATM    3  C   UNL     1       0.101   0.467  -7.691  1.00  0.00           C  
HETATM    4  C   UNL     1       0.927  -0.726  -5.315  1.00  0.00           C  
HETATM    5  C   UNL     1       1.738  -0.729  -6.611  1.00  0.00           C  
HETATM    6  N   UNL     1       0.122   0.500  -5.242  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.750   0.362  -4.069  1.00  0.00           C  
HETATM    8  C   UNL     1       0.100   0.354  -2.797  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.771   0.217  -1.628  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.237   0.186  -0.390  1.00  0.00           C  
HETATM   11  O   UNL     1       0.966   0.272  -0.245  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.741  -0.283   5.638  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.113   0.048   0.784  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.490  -0.050   0.633  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.317  -0.179   1.740  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.818  -0.214   3.007  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.436  -0.124   3.236  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.547   0.013   2.137  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.915  -0.155   4.545  1.00  0.00           C  
HETATM   20  C   UNL     1       0.483  -0.055   4.696  1.00  0.00           C  
HETATM   21  C   UNL     1       1.302   0.075   3.545  1.00  0.00           C  
HETATM   22  N   UNL     1       0.761   0.104   2.325  1.00  0.00           N  
HETATM   23  C   UNL     1       1.075  -0.082   5.970  1.00  0.00           C  
HETATM   24  C   UNL     1       2.428   0.016   6.087  1.00  0.00           C  
HETATM   25  C   UNL     1       3.235   0.144   4.958  1.00  0.00           C  
HETATM   26  C   UNL     1       2.697   0.174   3.709  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.398  -0.376  -6.395  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.363   1.403  -6.419  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.547   0.521  -8.565  1.00  0.00           H  
HETATM   30  H   UNL     1       0.782   1.318  -7.692  1.00  0.00           H  
HETATM   31  H   UNL     1       1.605  -0.767  -4.462  1.00  0.00           H  
HETATM   32  H   UNL     1       0.268  -1.594  -5.297  1.00  0.00           H  
HETATM   33  H   UNL     1       2.374  -1.614  -6.639  1.00  0.00           H  
HETATM   34  H   UNL     1       2.360   0.164  -6.652  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.308  -0.571  -4.139  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.447   1.200  -4.034  1.00  0.00           H  
HETATM   37  H   UNL     1       0.658   1.288  -2.727  1.00  0.00           H  
HETATM   38  H   UNL     1       0.796  -0.483  -2.832  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.731   0.148  -1.744  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.364  -0.306   6.532  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.702  -0.346   5.515  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.922  -0.025  -0.355  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.384  -0.254   1.593  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.492  -0.316   3.844  1.00  0.00           H  
HETATM   45  H   UNL     1       0.459  -0.181   6.852  1.00  0.00           H  
HETATM   46  H   UNL     1       2.881  -0.004   7.067  1.00  0.00           H  
HETATM   47  H   UNL     1       4.306   0.220   5.077  1.00  0.00           H  
HETATM   48  H   UNL     1       3.338   0.275   2.846  1.00  0.00           H  
CONECT    1    3    5                                                 
CONECT    2    3    6   27   28                                       
CONECT    3    1    2   29   30                                       
CONECT    4    5    6   31   32                                       
CONECT    5    1    4   33   34                                       
CONECT    6    2    4    7                                            
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39                                            
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12   19   40   41                                            
CONECT   13   10   14   14   18                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   19                                       
CONECT   18   13   17   17   22                                       
CONECT   19   12   17   20   20                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   26                                       
CONECT   22   18   21   21                                            
CONECT   23   20   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   21   25   25   48                                       
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
