COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.466  -2.659  -0.504  1.00  0.00           C  
HETATM    2  C   UNL     1       4.149  -1.493  -0.208  1.00  0.00           C  
HETATM    3  C   UNL     1       2.078  -0.393   0.276  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.326   0.120   0.076  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.023   0.544  -0.279  1.00  0.00           C  
HETATM    6  C   UNL     1       1.389  -1.561  -0.021  1.00  0.00           C  
HETATM    7  C   UNL     1       2.088  -2.696  -0.411  1.00  0.00           C  
HETATM    8  C   UNL     1       3.456  -0.362   0.181  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.181  -0.494  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.215  -1.178   0.548  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.558   0.908  -0.029  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.729  -0.499  -0.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.350  -2.038   1.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.319   0.945  -1.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.309   2.846   0.303  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.639   1.888  -0.843  1.00  0.00           C  
HETATM   17  C   UNL     1       3.258   2.508  -1.502  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.924  -1.539   0.491  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.006  -1.595   0.073  1.00  0.00           N  
HETATM   20  N   UNL     1       4.461   1.984  -0.850  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.966   1.528   0.930  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.178   0.487  -0.684  1.00  0.00           O  
HETATM   23  O   UNL     1       3.489   1.877   1.416  1.00  0.00           O  
HETATM   24  O   UNL     1       5.651   0.729   0.910  1.00  0.00           O  
HETATM   25  C   UNL     1       1.345  -3.966  -0.734  1.00  0.00           C  
HETATM   26  S   UNL     1       4.331   1.120   0.557  1.00  0.00           S  
HETATM   27  H   UNL     1       4.009  -3.540  -0.812  1.00  0.00           H  
HETATM   28  H   UNL     1       5.226  -1.467  -0.282  1.00  0.00           H  
HETATM   29  H   UNL     1       1.538   0.492   0.580  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.708  -2.669   0.228  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.001  -2.666   1.861  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.162  -1.401   1.392  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.760   0.406  -2.094  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.294   0.477  -1.194  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.454   1.981  -1.641  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.032   3.819  -0.105  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.182   2.958   0.946  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.479   2.446   0.884  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.766   1.776  -1.486  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.470   2.288  -1.424  1.00  0.00           H  
HETATM   41  H   UNL     1       2.595   1.682  -1.759  1.00  0.00           H  
HETATM   42  H   UNL     1       2.744   3.188  -0.822  1.00  0.00           H  
HETATM   43  H   UNL     1       3.540   3.044  -2.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.570  -2.401   0.761  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.453  -2.408   0.358  1.00  0.00           H  
HETATM   46  H   UNL     1       5.333   2.142  -1.244  1.00  0.00           H  
HETATM   47  H   UNL     1       1.239  -4.565   0.170  1.00  0.00           H  
HETATM   48  H   UNL     1       0.357  -3.720  -1.124  1.00  0.00           H  
HETATM   49  H   UNL     1       1.900  -4.532  -1.482  1.00  0.00           H  
CONECT    1    7    7    2   27                                       
CONECT    2    1    8    8   28                                       
CONECT    3    6    6    8   29                                       
CONECT    4   11    5   10   10                                       
CONECT    5   16    4    9    9                                       
CONECT    6    7   19    3    3                                       
CONECT    7   25    1    1    6                                       
CONECT    8    2    2    3   26                                       
CONECT    9    5    5   12   18                                       
CONECT   10    4    4   18   13                                       
CONECT   11   14   21   21    4                                       
CONECT   12   19    9   22   22                                       
CONECT   13   10   30   31   32                                       
CONECT   14   11   33   34   35                                       
CONECT   15   16   36   37   38                                       
CONECT   16   15    5   39   40                                       
CONECT   17   20   41   42   43                                       
CONECT   18    9   10   44                                            
CONECT   19    6   12   45                                            
CONECT   20   26   17   46                                            
CONECT   21   11   11                                                 
CONECT   22   12   12                                                 
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25    7   47   48   49                                       
CONECT   26    8   23   23   20                                       
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
