COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.354  -1.344   0.226  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.729  -1.488   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.537  -0.377  -0.071  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.966   0.875  -0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.597   1.022  -0.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.954   2.368  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.705   2.481   0.474  1.00  0.00           C  
HETATM    8  N   UNL     1       0.188   1.335   0.269  1.00  0.00           N1+
HETATM    9  C   UNL     1      -0.314   0.104   0.118  1.00  0.00           C  
HETATM   10  C   UNL     1       0.507  -1.002  -0.017  1.00  0.00           C  
HETATM   11  C   UNL     1       1.898  -0.817  -0.030  1.00  0.00           C  
HETATM   12  C   UNL     1       2.793  -1.889  -0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       4.135  -1.652  -0.179  1.00  0.00           C  
HETATM   14  C   UNL     1       4.638  -0.355  -0.071  1.00  0.00           C  
HETATM   15  O   UNL     1       5.982  -0.152  -0.098  1.00  0.00           O  
HETATM   16  C   UNL     1       6.811  -1.307  -0.239  1.00  0.00           C  
HETATM   17  C   UNL     1       3.786   0.725   0.063  1.00  0.00           C  
HETATM   18  O   UNL     1       4.286   1.985   0.165  1.00  0.00           O  
HETATM   19  C   UNL     1       2.397   0.508   0.092  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.785  -0.086   0.058  1.00  0.00           C  
HETATM   21  C   UNL     1       1.485   1.561   0.246  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.887  -0.520  -0.127  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.656   0.660  -0.370  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.292  -2.715   0.327  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.726  -2.203   0.409  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.594   1.734  -0.433  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.677   2.481  -1.443  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.659   3.153  -0.120  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.174   3.398   0.220  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.001   2.520   1.523  1.00  0.00           H  
HETATM   31  H   UNL     1       0.084  -1.992  -0.109  1.00  0.00           H  
HETATM   32  H   UNL     1       2.420  -2.899  -0.242  1.00  0.00           H  
HETATM   33  H   UNL     1       4.819  -2.482  -0.279  1.00  0.00           H  
HETATM   34  H   UNL     1       7.858  -1.005  -0.247  1.00  0.00           H  
HETATM   35  H   UNL     1       6.634  -1.985   0.596  1.00  0.00           H  
HETATM   36  H   UNL     1       6.572  -1.814  -1.174  1.00  0.00           H  
HETATM   37  H   UNL     1       4.399   2.433  -0.684  1.00  0.00           H  
HETATM   38  H   UNL     1       1.851   2.572   0.347  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.715   0.406  -0.390  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.470   1.384   0.424  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.367   1.090  -1.329  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.510  -2.927   1.245  1.00  0.00           H  
CONECT    1    2    2   20   25                                       
CONECT    2    1    1    3   24                                       
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4    6   20   20                                       
CONECT    6    5    7   27   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    7    9   21   21                                       
CONECT    9    8   10   10   20                                       
CONECT   10    9    9   11   31                                       
CONECT   11   10   12   19   19                                       
CONECT   12   11   13   13   32                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13   15   17   17                                       
CONECT   15   14   16                                                 
CONECT   16   15   34   35   36                                       
CONECT   17   14   14   18   19                                       
CONECT   18   17   37                                                 
CONECT   19   11   11   17   21                                       
CONECT   20    1    5    5    9                                       
CONECT   21    8    8   19   38                                       
CONECT   22    3   23                                                 
CONECT   23   22   39   40   41                                       
CONECT   24    2   42                                                 
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
