COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.746  -0.012   2.185  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.130  -0.075  -0.026  1.00  0.00           C  
HETATM    3  C   UNL     1       2.260   0.582   0.668  1.00  0.00           C  
HETATM    4  C   UNL     1       2.530  -0.330   1.675  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.461  -0.332  -0.588  1.00  0.00           C  
HETATM    6  C   UNL     1       3.373   1.437   0.543  1.00  0.00           C  
HETATM    7  C   UNL     1       3.346   2.467  -0.419  1.00  0.00           C  
HETATM    8  C   UNL     1       2.229  -4.593  -1.711  1.00  0.00           C  
HETATM    9  C   UNL     1       1.342  -3.833  -0.723  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.770   0.252  -1.053  1.00  0.00           C  
HETATM   11  C   UNL     1       1.949  -2.615  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.359  -1.679  -0.286  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.175  -2.201   0.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.345   0.466  -0.457  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.026  -1.396   0.346  1.00  0.00           C  
HETATM   16  C   UNL     1       1.104   1.842  -1.014  1.00  0.00           C  
HETATM   17  C   UNL     1       1.060   0.798  -0.140  1.00  0.00           C  
HETATM   18  C   UNL     1       1.685  -1.508   2.097  1.00  0.00           C  
HETATM   19  C   UNL     1       1.080  -3.724  -2.226  1.00  0.00           C  
HETATM   20  C   UNL     1       2.171   3.719  -2.116  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.227   1.468  -0.398  1.00  0.00           C  
HETATM   22  N   UNL     1       4.269   1.045   1.490  1.00  0.00           N  
HETATM   23  N   UNL     1       0.994  -2.093   0.965  1.00  0.00           N  
HETATM   24  N   UNL     1       2.212   2.628  -1.138  1.00  0.00           N  
HETATM   25  O   UNL     1       4.314   3.188  -0.597  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.075  -0.314   1.168  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.028   1.895   0.993  1.00  0.00           O  
HETATM   28  S   UNL     1      -4.724   0.817   0.383  1.00  0.00           S  
HETATM   29  H   UNL     1       4.224  -0.512   3.014  1.00  0.00           H  
HETATM   30  H   UNL     1       3.244  -4.226  -1.862  1.00  0.00           H  
HETATM   31  H   UNL     1       2.107  -5.674  -1.768  1.00  0.00           H  
HETATM   32  H   UNL     1       0.637  -4.414  -0.129  1.00  0.00           H  
HETATM   33  H   UNL     1       2.869  -2.908   0.484  1.00  0.00           H  
HETATM   34  H   UNL     1       2.168  -1.843  -0.759  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.217  -2.323  -0.410  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.119  -3.255   0.399  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.410   1.519  -0.689  1.00  0.00           H  
HETATM   38  H   UNL     1       0.238   2.053  -1.625  1.00  0.00           H  
HETATM   39  H   UNL     1       2.327  -2.263   2.552  1.00  0.00           H  
HETATM   40  H   UNL     1       0.950  -1.176   2.831  1.00  0.00           H  
HETATM   41  H   UNL     1       1.339  -2.785  -2.715  1.00  0.00           H  
HETATM   42  H   UNL     1       0.201  -4.234  -2.622  1.00  0.00           H  
HETATM   43  H   UNL     1       3.120   4.255  -2.102  1.00  0.00           H  
HETATM   44  H   UNL     1       1.999   3.309  -3.111  1.00  0.00           H  
HETATM   45  H   UNL     1       1.362   4.404  -1.861  1.00  0.00           H  
HETATM   46  H   UNL     1       5.137   1.449   1.647  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.577   1.095  -1.715  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.338  -0.509  -1.589  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.722   0.671  -0.953  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.900   1.848   0.371  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.961   2.276  -1.080  1.00  0.00           H  
CONECT    1    4    4   22   29                                       
CONECT    2   14   14   15   17                                       
CONECT    3    4    6    6   17                                       
CONECT    4    1    1    3   18                                       
CONECT    5   10   12   12   14                                       
CONECT    6    3    3    7   22                                       
CONECT    7    6   24   25   25                                       
CONECT    8    9   19   30   31                                       
CONECT    9    8   11   19   32                                       
CONECT   10    5   28   47   48                                       
CONECT   11    9   23   33   34                                       
CONECT   12    5    5   13   35                                       
CONECT   13   12   15   15   36                                       
CONECT   14    2    2    5   37                                       
CONECT   15    2   13   13   23                                       
CONECT   16   17   17   24   38                                       
CONECT   17    2    3   16   16                                       
CONECT   18    4   23   39   40                                       
CONECT   19    8    9   41   42                                       
CONECT   20   24   43   44   45                                       
CONECT   21   28   49   50   51                                       
CONECT   22    1    6   46                                            
CONECT   23   11   15   18                                            
CONECT   24    7   16   20                                            
CONECT   25    7    7                                                 
CONECT   26   28   28                                                 
CONECT   27   28   28                                                 
CONECT   28   10   21   26   26                                       
CONECT   28   27   27                                                 
CONECT   29    1                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
