COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.981  -0.050  -0.439  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.759  -0.760  -0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.304  -0.469   1.192  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.077   0.029   2.187  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.545   0.322   1.896  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.901  -0.403   0.592  1.00  0.00           C  
HETATM    7  S   UNL     1       0.291  -0.670   1.923  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.058  -0.100   3.522  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.410   0.227   3.455  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.125   0.756   4.618  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.678  -0.004   5.390  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.170   2.087   4.834  1.00  0.00           O  
HETATM   13  N   UNL     1       0.796   0.000   4.605  1.00  0.00           N  
HETATM   14  C   UNL     1       2.085  -0.374   4.483  1.00  0.00           C  
HETATM   15  C   UNL     1       3.007  -0.267   5.652  1.00  0.00           C  
HETATM   16  O   UNL     1       2.597   0.156   6.711  1.00  0.00           O  
HETATM   17  O   UNL     1       4.294  -0.640   5.530  1.00  0.00           O  
HETATM   18  O   UNL     1       2.495  -0.799   3.423  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.691  -0.300  -1.197  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.129  -0.579  -2.528  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.151  -0.154  -3.359  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.295  -0.305  -4.814  1.00  0.00           C  
HETATM   23  C   UNL     1       0.813   0.196  -5.509  1.00  0.00           C  
HETATM   24  S   UNL     1       1.869   0.769  -4.206  1.00  0.00           S  
HETATM   25  N   UNL     1       0.922   0.384  -2.881  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.346  -0.840  -5.575  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.262  -0.871  -6.949  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.152  -0.374  -7.607  1.00  0.00           C  
HETATM   29  C   UNL     1       0.893   0.164  -6.871  1.00  0.00           C  
HETATM   30  O   UNL     1       1.897   2.187  -4.293  1.00  0.00           O  
HETATM   31  O   UNL     1       2.993  -0.099  -4.175  1.00  0.00           O  
HETATM   32  H   UNL     1      -1.929  -1.830  -0.315  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.693   1.396   1.776  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.167  -0.050   2.710  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.909  -0.123   0.288  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.862  -1.479   0.757  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.643   2.436   5.603  1.00  0.00           H  
HETATM   38  H   UNL     1       0.467   0.338   5.453  1.00  0.00           H  
HETATM   39  H   UNL     1       4.892  -0.571   6.287  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.528   0.771  -1.085  1.00  0.00           H  
HETATM   41  H   UNL     1       0.239  -0.832  -1.002  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.222  -1.233  -5.081  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.076  -1.291  -7.522  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.099  -0.404  -8.685  1.00  0.00           H  
HETATM   45  H   UNL     1       1.765   0.556  -7.373  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   19   32                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6   33   34                                       
CONECT    6    1    5   35   36                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   37                                                 
CONECT   13    8   14   38                                            
CONECT   14   13   15   18   18                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   39                                                 
CONECT   18   14   14                                                 
CONECT   19    2   20   40   41                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   25   25                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   29                                       
CONECT   24   23   25   30   30                                       
CONECT   24   31   31                                                 
CONECT   25   21   21   24                                            
CONECT   26   22   27   27   42                                       
CONECT   27   26   26   28   43                                       
CONECT   28   27   29   29   44                                       
CONECT   29   23   28   28   45                                       
CONECT   30   24   24                                                 
CONECT   31   24   24                                                 
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
