COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.531   1.599   0.592  1.00  0.00           C  
HETATM    2  O   UNL     1       2.953   2.584   0.183  1.00  0.00           O  
HETATM    3  N   UNL     1       3.065   0.371   0.292  1.00  0.00           N  
HETATM    4  C   UNL     1       3.666  -0.904   0.722  1.00  0.00           C  
HETATM    5  C   UNL     1       2.514  -1.930   0.680  1.00  0.00           C  
HETATM    6  C   UNL     1       3.069  -3.299   0.239  1.00  0.00           C  
HETATM    7  C   UNL     1       3.357  -3.147  -1.267  1.00  0.00           C  
HETATM    8  C   UNL     1       2.470  -1.999  -1.772  1.00  0.00           C  
HETATM    9  C   UNL     1       1.697  -1.449  -0.560  1.00  0.00           C  
HETATM   10  C   UNL     1       1.870   0.082  -0.512  1.00  0.00           C  
HETATM   11  C   UNL     1       0.660   0.716   0.125  1.00  0.00           C  
HETATM   12  O   UNL     1       0.694   1.052   1.290  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.460   0.909  -0.600  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.636   1.525   0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.507   3.048  -0.045  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.319   3.496   0.809  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.190   5.019   0.745  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.895   1.088  -0.731  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.804   1.501  -2.096  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.022  -0.412  -0.668  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.942  -1.071  -1.683  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.224  -1.022   0.517  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.348  -2.481   0.578  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.126  -3.075   1.754  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.601  -3.206   1.700  1.00  0.00           C  
HETATM   26  H   UNL     1       4.422   1.707   1.193  1.00  0.00           H  
HETATM   27  H   UNL     1       4.460  -1.198   0.035  1.00  0.00           H  
HETATM   28  H   UNL     1       4.056  -0.814   1.736  1.00  0.00           H  
HETATM   29  H   UNL     1       1.941  -1.975   1.606  1.00  0.00           H  
HETATM   30  H   UNL     1       3.988  -3.528   0.779  1.00  0.00           H  
HETATM   31  H   UNL     1       2.328  -4.081   0.407  1.00  0.00           H  
HETATM   32  H   UNL     1       4.408  -2.904  -1.423  1.00  0.00           H  
HETATM   33  H   UNL     1       3.106  -4.070  -1.789  1.00  0.00           H  
HETATM   34  H   UNL     1       3.091  -1.213  -2.203  1.00  0.00           H  
HETATM   35  H   UNL     1       1.772  -2.372  -2.522  1.00  0.00           H  
HETATM   36  H   UNL     1       0.656  -1.770  -0.538  1.00  0.00           H  
HETATM   37  H   UNL     1       2.002   0.469  -1.523  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.487   0.641  -1.531  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.705   1.210   1.060  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.348   3.356  -1.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.420   3.507   0.335  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.477   3.188   1.842  1.00  0.00           H  
HETATM   43  H   UNL     1       0.594   3.038   0.429  1.00  0.00           H  
HETATM   44  H   UNL     1       0.656   5.338   1.353  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.031   5.327  -0.289  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.103   5.478   1.124  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.770   1.546  -0.271  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.047   1.130  -2.569  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.288  -0.496   1.329  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.425  -2.987  -0.384  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.546  -2.381   2.482  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.715  -3.972   1.565  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.189  -4.190   1.475  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.019  -2.599   2.392  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1   10    4                                            
CONECT    4    3    5   27   28                                       
CONECT    5    4    9    6   29                                       
CONECT    6    5    7   30   31                                       
CONECT    7    8    6   32   33                                       
CONECT    8    9    7   34   35                                       
CONECT    9   10    5    8   36                                       
CONECT   10   11    3    9   37                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   38                                            
CONECT   14   15   18   13   39                                       
CONECT   15   16   14   40   41                                       
CONECT   16   17   15   42   43                                       
CONECT   17   16   44   45   46                                       
CONECT   18   20   14   19   47                                       
CONECT   19   18   48                                                 
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   49                                            
CONECT   23   22   25   24   50                                       
CONECT   24   25   23   51   52                                       
CONECT   25   24   23   53   54                                       
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
