COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.223  -0.162  -1.764  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.223   0.255  -6.065  1.00  0.00           C  
HETATM    3  C   UNL     1       1.482   0.212  -1.133  1.00  0.00           C  
HETATM    4  C   UNL     1       2.985   0.365  -0.893  1.00  0.00           C  
HETATM    5  C   UNL     1       3.273   0.292   0.607  1.00  0.00           C  
HETATM    6  C   UNL     1       4.776   0.445   0.847  1.00  0.00           C  
HETATM    7  C   UNL     1       5.524  -0.679   0.128  1.00  0.00           C  
HETATM    8  C   UNL     1       5.237  -0.605  -1.372  1.00  0.00           C  
HETATM    9  C   UNL     1       3.734  -0.758  -1.611  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.801   0.748   2.111  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.259  -0.048   3.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.291  -0.943   2.925  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.874  -1.034   1.677  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.360   1.221   5.587  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.911  -0.017  -1.628  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.124   0.140  -2.684  1.00  0.00           C  
HETATM   17  O   UNL     1       1.214   0.281  -2.535  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.709   0.164  -3.960  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.234   0.307  -5.222  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.398   0.075  -5.396  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.103   0.013  -4.057  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.816  -0.145  -2.947  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.000  -0.330  -0.629  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.416  -0.235   0.637  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.376   0.658   0.859  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.523   0.070   4.740  1.00  0.00           S  
HETATM   27  O   UNL     1       0.772   0.614   4.528  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.801  -1.163   5.387  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.128   0.341  -7.138  1.00  0.00           H  
HETATM   30  H   UNL     1       0.949   1.013  -0.621  1.00  0.00           H  
HETATM   31  H   UNL     1       1.149  -0.750  -0.746  1.00  0.00           H  
HETATM   32  H   UNL     1       3.318   1.329  -1.280  1.00  0.00           H  
HETATM   33  H   UNL     1       2.739   1.093   1.119  1.00  0.00           H  
HETATM   34  H   UNL     1       2.940  -0.671   0.994  1.00  0.00           H  
HETATM   35  H   UNL     1       5.109   1.408   0.460  1.00  0.00           H  
HETATM   36  H   UNL     1       4.981   0.392   1.916  1.00  0.00           H  
HETATM   37  H   UNL     1       6.595  -0.569   0.299  1.00  0.00           H  
HETATM   38  H   UNL     1       5.191  -1.642   0.515  1.00  0.00           H  
HETATM   39  H   UNL     1       5.570   0.358  -1.759  1.00  0.00           H  
HETATM   40  H   UNL     1       5.770  -1.406  -1.884  1.00  0.00           H  
HETATM   41  H   UNL     1       3.401  -1.721  -1.225  1.00  0.00           H  
HETATM   42  H   UNL     1       3.529  -0.706  -2.681  1.00  0.00           H  
HETATM   43  H   UNL     1       0.007   1.443   2.284  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.647  -1.564   3.734  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.683  -1.730   1.508  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.104   1.434   6.498  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.104   1.684   5.171  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.280   0.004  -5.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.949  -0.513  -0.713  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.017   1.281   0.053  1.00  0.00           H  
CONECT    1   15   15   22   23                                       
CONECT    2   19   19   20   29                                       
CONECT    3    4   17   30   31                                       
CONECT    4    3    5    9   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7    9   39   40                                       
CONECT    9    4    8   41   42                                       
CONECT   10   11   11   25   43                                       
CONECT   11   10   10   12   26                                       
CONECT   12   11   13   13   44                                       
CONECT   13   12   12   24   45                                       
CONECT   14   26   46   47                                            
CONECT   15    1    1   16                                            
CONECT   16   15   17   18   18                                       
CONECT   17    3   16                                                 
CONECT   18   16   16   19   21                                       
CONECT   19    2    2   18                                            
CONECT   20    2   21   48                                            
CONECT   21   18   20   22   22                                       
CONECT   22    1   21   21                                            
CONECT   23    1   24   49                                            
CONECT   24   13   23   25   25                                       
CONECT   25   10   24   24   50                                       
CONECT   26   11   14   27   27                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
