COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.988   3.141   0.213  1.00  0.00           C  
HETATM    2  C   UNL     1       4.202   1.902   1.084  1.00  0.00           C  
HETATM    3  N   UNL     1       3.496   0.762   0.495  1.00  0.00           N  
HETATM    4  C   UNL     1       4.031  -0.101  -0.408  1.00  0.00           C  
HETATM    5  O   UNL     1       5.161  -0.057  -0.857  1.00  0.00           O  
HETATM    6  C   UNL     1       3.008  -1.095  -0.746  1.00  0.00           C  
HETATM    7  C   UNL     1       2.859  -2.207  -1.558  1.00  0.00           C  
HETATM    8  C   UNL     1       1.645  -2.890  -1.577  1.00  0.00           C  
HETATM    9  C   UNL     1       0.563  -2.517  -0.822  1.00  0.00           C  
HETATM   10  C   UNL     1       0.672  -1.396   0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       1.894  -0.721   0.023  1.00  0.00           C  
HETATM   12  C   UNL     1       2.182   0.405   0.785  1.00  0.00           C  
HETATM   13  C   UNL     1       1.163   0.879   1.592  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.071   0.235   1.611  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.348  -0.888   0.846  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.597  -1.498   0.899  1.00  0.00           N  
HETATM   17  S   UNL     1      -2.961  -0.577   1.086  1.00  0.00           S  
HETATM   18  O   UNL     1      -4.064  -1.464   0.961  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.743   0.235   2.232  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.044   0.519  -0.291  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.709   0.135  -1.440  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.773   0.994  -2.521  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.172   2.237  -2.453  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.507   2.621  -1.303  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.448   1.764  -0.221  1.00  0.00           C  
HETATM   26  H   UNL     1       4.374   2.952  -0.789  1.00  0.00           H  
HETATM   27  H   UNL     1       2.922   3.365   0.154  1.00  0.00           H  
HETATM   28  H   UNL     1       4.513   3.989   0.651  1.00  0.00           H  
HETATM   29  H   UNL     1       5.267   1.679   1.142  1.00  0.00           H  
HETATM   30  H   UNL     1       3.816   2.091   2.086  1.00  0.00           H  
HETATM   31  H   UNL     1       3.680  -2.543  -2.173  1.00  0.00           H  
HETATM   32  H   UNL     1       1.552  -3.755  -2.218  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.358  -3.078  -0.870  1.00  0.00           H  
HETATM   34  H   UNL     1       1.325   1.751   2.208  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.848   0.628   2.250  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.670  -2.462   0.827  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.178  -0.836  -1.494  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.293   0.694  -3.419  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.222   2.908  -3.298  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.038   3.592  -1.250  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.929   2.064   0.678  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1   29   30                                       
CONECT    3    4   12    2                                            
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    7   11    4                                       
CONECT    7    8    6    6   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10    6   12   12                                       
CONECT   12   11   11   13    3                                       
CONECT   13   14   14   12   34                                       
CONECT   14   15   13   13   35                                       
CONECT   15   16   10   10   14                                       
CONECT   16   17   15   36                                            
CONECT   17   20   19   19   16                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   21   21   25   17                                       
CONECT   21   22   20   20   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   20   41                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
