COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.884   0.312   0.102  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.389  -1.415   0.709  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.688  -0.379  -0.158  1.00  0.00           C  
HETATM    4  O   UNL     1      11.017  -1.192  -1.023  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.674   0.280  -0.828  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.886   0.749   0.165  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.358  -0.094  -0.634  1.00  0.00           C  
HETATM    8  C   UNL     1       1.581   0.603   0.278  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.725  -1.514   0.435  1.00  0.00           N  
HETATM   10  C   UNL     1       3.802  -0.252   0.352  1.00  0.00           C  
HETATM   11  O   UNL     1      10.455   0.705  -0.037  1.00  0.00           O  
HETATM   12  C   UNL     1       4.373   0.915   0.841  1.00  0.00           C  
HETATM   13  C   UNL     1       5.738   1.103   0.758  1.00  0.00           C  
HETATM   14  C   UNL     1       6.539   0.126   0.185  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.714   1.266   0.714  1.00  0.00           N  
HETATM   16  C   UNL     1       8.648  -0.734  -0.500  1.00  0.00           C  
HETATM   17  C   UNL     1      10.106  -0.354  -0.503  1.00  0.00           C  
HETATM   18  C   UNL     1       5.969  -1.040  -0.305  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.423  -0.821   0.408  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.511   2.707  -0.050  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.719   1.354   0.119  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.413   0.738  -1.678  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.707  -0.566   0.340  1.00  0.00           C  
HETATM   24  C   UNL     1       4.605  -1.231  -0.217  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.054  -1.133   0.236  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.076  -1.793   0.908  1.00  0.00           C  
HETATM   27  N   UNL     1       0.248   0.405   0.268  1.00  0.00           N  
HETATM   28  N   UNL     1       2.416  -0.443   0.436  1.00  0.00           N  
HETATM   29  O   UNL     1      -9.159  -1.029  -0.076  1.00  0.00           O  
HETATM   30  O   UNL     1       2.029   1.724   0.146  1.00  0.00           O  
HETATM   31  S   UNL     1      -8.364   0.101  -0.409  1.00  0.00           S  
HETATM   32  H   UNL     1      -7.182  -1.925   1.234  1.00  0.00           H  
HETATM   33  H   UNL     1      11.940  -0.904  -1.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.910   1.088  -1.505  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.567   0.422  -1.158  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.510  -2.437   0.639  1.00  0.00           H  
HETATM   37  H   UNL     1       3.749   1.676   1.288  1.00  0.00           H  
HETATM   38  H   UNL     1       6.183   2.011   1.139  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.035   1.551   1.345  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.598   1.664   0.741  1.00  0.00           H  
HETATM   41  H   UNL     1       8.514  -1.655   0.068  1.00  0.00           H  
HETATM   42  H   UNL     1       8.310  -0.887  -1.525  1.00  0.00           H  
HETATM   43  H   UNL     1       6.594  -1.801  -0.747  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.268   3.306  -0.148  1.00  0.00           H  
HETATM   45  H   UNL     1       0.393   3.060  -0.071  1.00  0.00           H  
HETATM   46  H   UNL     1       4.161  -2.139  -0.598  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.842  -2.599   1.588  1.00  0.00           H  
HETATM   48  H   UNL     1       2.058  -1.328   0.608  1.00  0.00           H  
CONECT    1   14   16                                                 
CONECT    2    3   26   26   32                                       
CONECT    3   31    5    5    2                                       
CONECT    4   17   33                                                 
CONECT    5    3    3    7   34                                       
CONECT    6   23   21   21                                            
CONECT    7    5   25   25   35                                       
CONECT    8   28   27   30   30                                       
CONECT    9   25   23   36                                            
CONECT   10   24   28   12   12                                       
CONECT   11   17   17                                                 
CONECT   12   10   10   13   37                                       
CONECT   13   14   14   12   38                                       
CONECT   14   18    1   13   13                                       
CONECT   15   31   39   40                                            
CONECT   16   17    1   41   42                                       
CONECT   17   11   11    4   16                                       
CONECT   18   24   24   14   43                                       
CONECT   19   23   23   27                                            
CONECT   20   21   44   45                                            
CONECT   21   27    6    6   20                                       
CONECT   22   31   31                                                 
CONECT   23   19   19    9    6                                       
CONECT   24   18   18   10   46                                       
CONECT   25    7    7   26    9                                       
CONECT   26    2    2   25   47                                       
CONECT   27   19    8   21                                            
CONECT   28   10    8   48                                            
CONECT   29   31   31                                                 
CONECT   30    8    8                                                 
CONECT   31   15   29   29    3                                       
CONECT   31   22   22                                                 
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
