COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.488  -3.141   0.359  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.681  -2.480   0.148  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.687  -1.156  -0.276  1.00  0.00           C  
HETATM    4  C   UNL     1       2.486  -0.484  -0.490  1.00  0.00           C  
HETATM    5  C   UNL     1       3.686  -1.156  -0.275  1.00  0.00           C  
HETATM    6  C   UNL     1       3.681  -2.481   0.149  1.00  0.00           C  
HETATM    7  C   UNL     1       2.487  -3.140   0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.011   0.813  -0.200  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.278  -2.481   0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.279  -1.140  -0.280  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.434  -0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -3.183   0.374  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.038   1.441   0.161  1.00  0.00           O  
HETATM   14  N   UNL     1      -4.898  -0.499  -0.486  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.486  -0.484  -0.490  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   0.723  -0.876  1.00  0.00           O  
HETATM   17  O   UNL     1       0.000  -4.341   0.744  1.00  0.00           O  
HETATM   18  C   UNL     1       1.278  -2.480   0.150  1.00  0.00           C  
HETATM   19  C   UNL     1       1.279  -1.140  -0.281  1.00  0.00           C  
HETATM   20  N   UNL     1       4.898  -0.499  -0.485  1.00  0.00           N  
HETATM   21  C   UNL     1       5.011   0.813  -0.200  1.00  0.00           C  
HETATM   22  O   UNL     1       4.039   1.441   0.161  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.491  -4.168   0.693  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.616  -2.995   0.312  1.00  0.00           H  
HETATM   25  H   UNL     1       2.493   0.545  -0.819  1.00  0.00           H  
HETATM   26  H   UNL     1       4.616  -2.995   0.313  1.00  0.00           H  
HETATM   27  H   UNL     1       2.490  -4.169   0.691  1.00  0.00           H  
HETATM   28  C   UNL     1      -6.346   1.500  -0.329  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.493   0.545  -0.819  1.00  0.00           H  
HETATM   30  H   UNL     1       5.659  -0.987  -0.837  1.00  0.00           H  
HETATM   31  C   UNL     1       6.346   1.500  -0.329  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.660  -0.986  -0.838  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.066   1.023   0.336  1.00  0.00           H  
HETATM   34  N   UNL     1      -6.206   2.916   0.037  1.00  0.00           N  
HETATM   35  H   UNL     1      -6.696   1.424  -1.358  1.00  0.00           H  
HETATM   36  H   UNL     1       7.066   1.023   0.336  1.00  0.00           H  
HETATM   37  H   UNL     1       6.697   1.423  -1.358  1.00  0.00           H  
HETATM   38  N   UNL     1       6.206   2.916   0.036  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.421   3.670  -0.300  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.874   3.062   1.461  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.933   2.552   1.668  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.775   4.120   1.704  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.666   2.621   2.066  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.270   3.251   0.241  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.290   4.715  -0.019  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.605   3.602  -1.372  1.00  0.00           H  
HETATM   47  C   UNL     1       5.874   3.062   1.460  1.00  0.00           C  
HETATM   48  C   UNL     1       7.421   3.669  -0.301  1.00  0.00           C  
HETATM   49  H   UNL     1       6.667   2.622   2.065  1.00  0.00           H  
HETATM   50  H   UNL     1       5.776   4.120   1.703  1.00  0.00           H  
HETATM   51  H   UNL     1       4.933   2.553   1.668  1.00  0.00           H  
HETATM   52  H   UNL     1       7.605   3.601  -1.373  1.00  0.00           H  
HETATM   53  H   UNL     1       7.291   4.714  -0.020  1.00  0.00           H  
HETATM   54  H   UNL     1       8.270   3.251   0.241  1.00  0.00           H  
CONECT    1    2    2    9   23                                       
CONECT    2    1    1    3   24                                       
CONECT    3    2   14   15   15                                       
CONECT    4    5    5   19   25                                       
CONECT    5    4    4    6   20                                       
CONECT    6    5    7    7   26                                       
CONECT    7    6    6   18   27                                       
CONECT    8   13   13   14   28                                       
CONECT    9    1   10   10   12                                       
CONECT   10    9    9   11   15                                       
CONECT   11   10   16   16   19                                       
CONECT   12    9   17   17   18                                       
CONECT   13    8    8                                                 
CONECT   14    3    8   32                                            
CONECT   15    3    3   10   29                                       
CONECT   16   11   11                                                 
CONECT   17   12   12                                                 
CONECT   18    7   12   19   19                                       
CONECT   19    4   11   18   18                                       
CONECT   20    5   21   30                                            
CONECT   21   20   22   22   31                                       
CONECT   22   21   21                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8   33   34   35                                       
CONECT   29   15                                                      
CONECT   30   20                                                      
CONECT   31   21   36   37   38                                       
CONECT   32   14                                                      
CONECT   33   28                                                      
CONECT   34   28   39   40                                            
CONECT   35   28                                                      
CONECT   36   31                                                      
CONECT   37   31                                                      
CONECT   38   31   47   48                                            
CONECT   39   34   44   45   46                                       
CONECT   40   34   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44   39                                                      
CONECT   45   39                                                      
CONECT   46   39                                                      
CONECT   47   38   49   50   51                                       
CONECT   48   38   52   53   54                                       
CONECT   49   47                                                      
CONECT   50   47                                                      
CONECT   51   47                                                      
CONECT   52   48                                                      
CONECT   53   48                                                      
CONECT   54   48                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
