COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.893  -0.306   0.016  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.158  -1.481  -0.927  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.567  -1.692  -1.039  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.442  -0.088   0.132  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.284   0.086   0.225  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.927   0.289   0.334  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.769   0.463   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.358   0.675   0.539  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.866   1.702   1.353  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.520   1.904   1.460  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.632   1.084   0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.122   0.058  -0.057  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.468  -0.149  -0.160  1.00  0.00           C  
HETATM   14  C   UNL     1       0.823   1.303   0.872  1.00  0.00           C  
HETATM   15  O   UNL     1       1.249   2.196   1.579  1.00  0.00           O  
HETATM   16  N   UNL     1       1.679   0.514   0.194  1.00  0.00           N  
HETATM   17  C   UNL     1       3.124   0.731   0.309  1.00  0.00           C  
HETATM   18  C   UNL     1       3.866  -0.529  -0.140  1.00  0.00           C  
HETATM   19  C   UNL     1       3.393  -1.795   0.578  1.00  0.00           C  
HETATM   20  S   UNL     1       5.066  -2.484   0.458  1.00  0.00           S  
HETATM   21  C   UNL     1       5.243  -0.680   0.510  1.00  0.00           C  
HETATM   22  O   UNL     1       5.347  -3.028  -0.825  1.00  0.00           O  
HETATM   23  O   UNL     1       5.489  -3.113   1.661  1.00  0.00           O  
HETATM   24  O   UNL     1       3.897  -0.668  -1.562  1.00  0.00           O  
HETATM   25  C   UNL     1       2.611  -0.860  -2.156  1.00  0.00           C  
HETATM   26  C   UNL     1       3.528   1.891  -0.565  1.00  0.00           C  
HETATM   27  O   UNL     1       2.692   2.478  -1.219  1.00  0.00           O  
HETATM   28  N   UNL     1       4.818   2.276  -0.619  1.00  0.00           N  
HETATM   29  O   UNL     1       5.198   3.365  -1.440  1.00  0.00           O  
HETATM   30  H   UNL     1     -10.364   0.593  -0.381  1.00  0.00           H  
HETATM   31  H   UNL     1     -10.307  -0.529   1.000  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.745  -1.258  -1.910  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.687  -2.380  -0.529  1.00  0.00           H  
HETATM   34  H   UNL     1     -11.810  -2.424  -1.623  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.552   2.336   1.896  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.141   2.697   2.088  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.435  -0.575  -0.600  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.845  -0.945  -0.785  1.00  0.00           H  
HETATM   39  H   UNL     1       1.339  -0.199  -0.370  1.00  0.00           H  
HETATM   40  H   UNL     1       3.377   0.952   1.346  1.00  0.00           H  
HETATM   41  H   UNL     1       3.077  -1.612   1.605  1.00  0.00           H  
HETATM   42  H   UNL     1       2.655  -2.360   0.008  1.00  0.00           H  
HETATM   43  H   UNL     1       6.056  -0.311  -0.116  1.00  0.00           H  
HETATM   44  H   UNL     1       5.284  -0.282   1.524  1.00  0.00           H  
HETATM   45  H   UNL     1       2.730  -1.090  -3.214  1.00  0.00           H  
HETATM   46  H   UNL     1       2.102  -1.686  -1.660  1.00  0.00           H  
HETATM   47  H   UNL     1       2.021   0.050  -2.045  1.00  0.00           H  
HETATM   48  H   UNL     1       5.487   1.806  -0.096  1.00  0.00           H  
HETATM   49  H   UNL     1       6.144   3.566  -1.413  1.00  0.00           H  
CONECT    1    2    4   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2   34                                                 
CONECT    4    1    5    5    5                                       
CONECT    5    4    4    4    6                                       
CONECT    6    5    7    7    7                                       
CONECT    7    6    6    6    8                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   35                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   37                                       
CONECT   13    8   12   12   38                                       
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39                                            
CONECT   17   16   18   26   40                                       
CONECT   18   17   19   21   24                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   22   22                                       
CONECT   20   23   23                                                 
CONECT   21   18   20   43   44                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24   18   25                                                 
CONECT   25   24   45   46   47                                       
CONECT   26   17   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   48                                            
CONECT   29   28   49                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
