COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.998  -0.712  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.376  -0.315  -1.727  1.00  0.00           C  
HETATM    3  C   UNL     1       3.588   0.516  -0.524  1.00  0.00           C  
HETATM    4  C   UNL     1       4.964   0.660  -0.435  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.050   2.491   0.463  1.00  0.00           C  
HETATM    6  C   UNL     1       0.777   0.200  -0.021  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.352   1.069   0.082  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.814   2.251   0.632  1.00  0.00           C  
HETATM    9  C   UNL     1       0.564   2.334   0.830  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.949   3.146   0.863  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.612   0.298  -0.503  1.00  0.00           C  
HETATM   12  N   UNL     1       1.609  -0.857  -0.354  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.524   0.076  -0.226  1.00  0.00           N  
HETATM   14  C   UNL     1       3.786  -1.798   0.100  1.00  0.00           C  
HETATM   15  N   UNL     1       1.315   1.299   0.495  1.00  0.00           N  
HETATM   16  C   UNL     1       5.753  -0.427  -0.077  1.00  0.00           C  
HETATM   17  C   UNL     1       5.162  -1.656   0.191  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.708   1.246  -0.007  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.272  -1.245  -2.216  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.400  -1.571  -1.486  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.635  -0.966  -0.264  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.746  -0.032   0.228  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.866  -1.324   0.528  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.016  -0.397   0.130  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.219  -0.746   0.904  1.00  0.00           C  
HETATM   26  N   UNL     1     -10.147  -1.016   1.502  1.00  0.00           N  
HETATM   27  O   UNL     1       5.541   1.862  -0.697  1.00  0.00           O  
HETATM   28  C   UNL     1       4.669   2.935  -1.059  1.00  0.00           C  
HETATM   29  O   UNL     1       7.105  -0.287   0.012  1.00  0.00           O  
HETATM   30  C   UNL     1       7.635   0.101   1.281  1.00  0.00           C  
HETATM   31  O   UNL     1       5.934  -2.719   0.542  1.00  0.00           O  
HETATM   32  C   UNL     1       5.260  -3.952   0.802  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.495  -0.060  -2.297  1.00  0.00           H  
HETATM   34  H   UNL     1       2.974   1.361  -0.803  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.056   2.882   0.508  1.00  0.00           H  
HETATM   36  H   UNL     1       1.008   3.226   1.248  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.909   4.143   1.276  1.00  0.00           H  
HETATM   38  H   UNL     1       1.229  -1.697  -0.655  1.00  0.00           H  
HETATM   39  H   UNL     1       3.327  -2.753   0.308  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.092  -1.718  -3.170  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.100  -2.298  -1.871  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.930   0.440   1.182  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.144  -2.358   0.321  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.659  -1.210   1.592  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.738   0.637   0.338  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.224  -0.511  -0.934  1.00  0.00           H  
HETATM   47  H   UNL     1       5.256   3.835  -1.242  1.00  0.00           H  
HETATM   48  H   UNL     1       4.122   2.669  -1.964  1.00  0.00           H  
HETATM   49  H   UNL     1       3.964   3.119  -0.249  1.00  0.00           H  
HETATM   50  H   UNL     1       7.221   1.068   1.567  1.00  0.00           H  
HETATM   51  H   UNL     1       7.368  -0.645   2.030  1.00  0.00           H  
HETATM   52  H   UNL     1       8.720   0.176   1.214  1.00  0.00           H  
HETATM   53  H   UNL     1       4.557  -3.816   1.625  1.00  0.00           H  
HETATM   54  H   UNL     1       4.717  -4.265  -0.090  1.00  0.00           H  
HETATM   55  H   UNL     1       5.990  -4.716   1.070  1.00  0.00           H  
CONECT    1    3   12   14   14                                       
CONECT    2   11   11   19   33                                       
CONECT    3    4    4    1   34                                       
CONECT    4   27    3    3   16                                       
CONECT    5   10   10   18   35                                       
CONECT    6   13   13   15   12                                       
CONECT    7   18    8    8   13                                       
CONECT    8   10    7    7    9                                       
CONECT    9    8   15   15   36                                       
CONECT   10    5    5    8   37                                       
CONECT   11   22   18    2    2                                       
CONECT   12    6    1   38                                            
CONECT   13    7    6    6                                            
CONECT   14    1    1   17   39                                       
CONECT   15    9    9    6                                            
CONECT   16    4   29   17   17                                       
CONECT   17   16   16   14   31                                       
CONECT   18    5   11    7                                            
CONECT   19   20   20    2   40                                       
CONECT   20   21   19   19   41                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21   11   42                                       
CONECT   23   24   21   43   44                                       
CONECT   24   23   25   45   46                                       
CONECT   25   24   26   26   26                                       
CONECT   26   25   25   25                                            
CONECT   27   28    4                                                 
CONECT   28   27   47   48   49                                       
CONECT   29   30   16                                                 
CONECT   30   29   50   51   52                                       
CONECT   31   17   32                                                 
CONECT   32   31   53   54   55                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
