COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.342   1.168   0.675  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.325   0.019  -0.334  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.641  -1.295   0.383  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.375   0.275  -1.417  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.010  -0.068  -0.946  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.971  -0.292  -0.127  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.153  -0.411   1.062  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.577  -0.394  -0.690  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.985   1.000  -0.825  1.00  0.00           C  
HETATM   10  C   UNL     1       0.359   0.927  -1.502  1.00  0.00           C  
HETATM   11  O   UNL     1       1.063   1.907  -1.554  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.830   1.538   0.582  1.00  0.00           C  
HETATM   13  N   UNL     1       0.301   1.470   1.190  1.00  0.00           N  
HETATM   14  CA  UNL     1       1.436   1.021   0.628  1.00  0.00           C  
HETATM   15  C   UNL     1       2.563   1.960   0.796  1.00  0.00           C  
HETATM   16  OXT UNL     1       2.796   2.906  -0.135  1.00  0.00           O  
HETATM   17  O   UNL     1       3.280   1.880   1.774  1.00  0.00           O  
HETATM   18  C   UNL     1       1.766  -0.035  -0.020  1.00  0.00           C  
HETATM   19  C   UNL     1       1.071  -1.311  -0.390  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.556  -1.408   0.416  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.014  -2.752   0.351  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.476  -0.762   1.679  1.00  0.00           O  
HETATM   23  C   UNL     1       3.184   0.020  -0.530  1.00  0.00           C  
HETATM   24  O   UNL     1       3.929  -1.113  -0.010  1.00  0.00           O  
HETATM   25  C   UNL     1       5.187  -1.269  -0.451  1.00  0.00           C  
HETATM   26  C   UNL     1       6.021  -2.422   0.044  1.00  0.00           C  
HETATM   27  O   UNL     1       5.650  -0.486  -1.245  1.00  0.00           O  
HETATM   28  H   UNL     1      -5.116   2.104   0.164  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.328   1.234   1.135  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.594   0.986   1.447  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.628  -1.230   0.842  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.629  -2.114  -0.336  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.893  -1.478   1.154  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.149   1.211  -1.928  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.363  -0.544  -2.136  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.361   0.340  -0.958  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.618  -0.866  -1.672  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.658   1.637  -1.399  1.00  0.00           H  
HETATM   39  H   UNL     1       0.693  -0.002  -1.941  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.678   1.985   1.079  1.00  0.00           H  
HETATM   41  HXT UNL     1       3.545   3.497   0.019  1.00  0.00           H  
HETATM   42  H   UNL     1       0.939  -1.349  -1.471  1.00  0.00           H  
HETATM   43  H   UNL     1       1.681  -2.157  -0.073  1.00  0.00           H  
HETATM   44  H   UNL     1       3.180  -0.017  -1.619  1.00  0.00           H  
HETATM   45  H   UNL     1       5.439  -3.016   0.749  1.00  0.00           H  
HETATM   46  H   UNL     1       6.316  -3.046  -0.799  1.00  0.00           H  
HETATM   47  H   UNL     1       6.912  -2.039   0.542  1.00  0.00           H  
HETATM   48  H   UNL     1       3.653   0.946  -0.199  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    5    4                                       
CONECT    3    2   31   32   33                                       
CONECT    4    2   34   35   36                                       
CONECT    5    2    6                                                 
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8   20    6    9   37                                       
CONECT    9   12    8   10   38                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10                                                 
CONECT   12   13   13    9   40                                       
CONECT   13   14   12   12                                            
CONECT   14   18   18   15   13                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15   41                                                 
CONECT   17   15   15                                                 
CONECT   18   23   19   14   14                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   22   22   21                                       
CONECT   20   21    8                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   24   18   44   48                                       
CONECT   24   25   23                                                 
CONECT   25   27   27   26   24                                       
CONECT   26   25   45   46   47                                       
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
