COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.833   3.413   0.298  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.833   1.962   0.074  1.00  0.00           N1+
HETATM    3  C   UNL     1      -3.017   1.685  -1.357  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.926   1.345   0.842  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.104  -0.097   0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.774  -0.806   0.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.587  -0.108   0.445  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.382  -0.794   0.451  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.362  -2.176   0.388  1.00  0.00           C  
HETATM   10  O   UNL     1       0.670  -3.070   0.379  1.00  0.00           O  
HETATM   11  C   UNL     1       0.106  -4.302  -0.107  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.281  -4.216   0.268  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.562  -2.881   0.320  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.761  -2.192   0.314  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.557   1.396   0.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.431   1.924  -0.368  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.406   1.196  -1.626  1.00  0.00           O  
HETATM   18  C   UNL     1       0.780   0.578  -1.752  1.00  0.00           C  
HETATM   19  O   UNL     1       1.108  -0.111  -2.697  1.00  0.00           O  
HETATM   20  C   UNL     1       1.626   0.855  -0.580  1.00  0.00           C  
HETATM   21  C   UNL     1       2.921   0.456  -0.232  1.00  0.00           C  
HETATM   22  O   UNL     1       3.830  -0.329  -0.876  1.00  0.00           O  
HETATM   23  C   UNL     1       5.095  -0.047  -0.250  1.00  0.00           C  
HETATM   24  O   UNL     1       4.734   0.366   1.081  1.00  0.00           O  
HETATM   25  C   UNL     1       3.475   0.885   0.972  1.00  0.00           C  
HETATM   26  C   UNL     1       2.746   1.704   1.817  1.00  0.00           C  
HETATM   27  C   UNL     1       1.462   2.100   1.473  1.00  0.00           C  
HETATM   28  C   UNL     1       0.905   1.683   0.289  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.017   3.868  -0.264  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.782   3.832  -0.036  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.699   3.617   1.361  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.285   2.250  -1.933  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.881   0.619  -1.541  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.023   1.980  -1.657  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.676   1.350   1.903  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.798  -0.615   1.025  1.00  0.00           H  
HETATM   37  H   UNL     1       0.548  -0.246   0.503  1.00  0.00           H  
HETATM   38  H   UNL     1       0.207  -4.369  -1.190  1.00  0.00           H  
HETATM   39  H   UNL     1       0.583  -5.157   0.374  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.693  -2.736   0.260  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.372   1.699   1.553  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.569   2.990  -0.554  1.00  0.00           H  
HETATM   43  H   UNL     1       5.715  -0.942  -0.218  1.00  0.00           H  
HETATM   44  H   UNL     1       5.610   0.758  -0.774  1.00  0.00           H  
HETATM   45  H   UNL     1       3.178   2.035   2.750  1.00  0.00           H  
HETATM   46  H   UNL     1       0.899   2.739   2.137  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.847   1.904   0.680  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.505  -0.095  -0.650  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    4    1   15    3                                       
CONECT    3    2   32   33   34                                       
CONECT    4    5    2   35   47                                       
CONECT    5    6    4   36   48                                       
CONECT    6   14    5    7    7                                       
CONECT    7    6    6    8   15                                       
CONECT    8    9    9    7   37                                       
CONECT    9   13   10    8    8                                       
CONECT   10   11    9                                                 
CONECT   11   12   10   38   39                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14    9                                       
CONECT   14   13   13    6   40                                       
CONECT   15    7    2   16   41                                       
CONECT   16   17   15   28   42                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21   28                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   43   44                                       
CONECT   24   23   25                                                 
CONECT   25   21   24   26   26                                       
CONECT   26   25   25   27   45                                       
CONECT   27   28   28   26   46                                       
CONECT   28   16   20   27   27                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
