COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.253   2.386   0.775  1.00  0.00           C  
HETATM    2  C   UNL     1       2.365   1.140   0.366  1.00  0.00           C  
HETATM    3  C   UNL     1       3.143  -0.029   0.399  1.00  0.00           C  
HETATM    4  C   UNL     1       4.520   0.097   0.646  1.00  0.00           C  
HETATM    5  C   UNL     1       1.087  -0.630   0.014  1.00  0.00           C  
HETATM    6  N   UNL     1       5.023   1.315   0.820  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.100   1.602   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.529   1.737  -1.484  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.029   2.098  -1.357  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.415   1.615   0.055  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.554   0.597  -0.038  1.00  0.00           C  
HETATM   12  C   UNL     1       0.449  -3.272  -0.304  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.600  -4.324  -0.560  1.00  0.00           C  
HETATM   14  N   UNL     1       2.956   2.315   0.557  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.995   0.234   1.311  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.057   0.423   1.625  1.00  0.00           N1+
HETATM   17  N   UNL     1      -6.120   0.612   1.939  1.00  0.00           N  
HETATM   18  N   UNL     1       5.337  -1.020   0.690  1.00  0.00           N  
HETATM   19  N   UNL     1       2.309  -1.075   0.178  1.00  0.00           N  
HETATM   20  N   UNL     1       1.074   0.734   0.122  1.00  0.00           N  
HETATM   21  O   UNL     1       0.196   2.785  -2.131  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.214   3.510  -1.470  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.253  -5.619  -0.608  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.753  -4.000  -0.723  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.251   0.999   0.629  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.326  -1.636  -0.299  1.00  0.00           S  
HETATM   27  H   UNL     1       4.702   3.357   0.927  1.00  0.00           H  
HETATM   28  H   UNL     1       0.103   2.583   0.431  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.399   0.793  -2.013  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.612   1.575  -2.114  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.725   2.463   0.665  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.388   1.034  -0.587  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.204  -0.294  -0.558  1.00  0.00           H  
HETATM   34  H   UNL     1       0.918  -3.455   0.663  1.00  0.00           H  
HETATM   35  H   UNL     1       1.205  -3.314  -1.088  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.361   1.456   2.352  1.00  0.00           H  
HETATM   37  H   UNL     1       4.960  -1.903   0.549  1.00  0.00           H  
HETATM   38  H   UNL     1       6.287  -0.921   0.861  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.038   2.908  -3.061  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.136   3.793  -1.398  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.961  -6.257  -0.775  1.00  0.00           H  
CONECT    1    6    6   14   27                                       
CONECT    2    3   20   14   14                                       
CONECT    3   19    4    4    2                                       
CONECT    4   18    3    3    6                                       
CONECT    5   19   19   26   20                                       
CONECT    6    4    1    1                                            
CONECT    7   25   20    8   28                                       
CONECT    8    7    9   21   29                                       
CONECT    9   10    8   22   30                                       
CONECT   10   11   25    9   31                                       
CONECT   11   15   10   32   33                                       
CONECT   12   13   26   34   35                                       
CONECT   13   24   24   12   23                                       
CONECT   14    2    2    1                                            
CONECT   15   16   16   11                                            
CONECT   16   17   17   15   15                                       
CONECT   17   16   16   36                                            
CONECT   18    4   37   38                                            
CONECT   19    3    5    5                                            
CONECT   20    5    2    7                                            
CONECT   21    8   39                                                 
CONECT   22    9   40                                                 
CONECT   23   13   41                                                 
CONECT   24   13   13                                                 
CONECT   25   10    7                                                 
CONECT   26   12    5                                                 
CONECT   27    1                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
