COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.719   0.596   3.068  1.00  0.00           O  
HETATM    2  C   UNL     1       1.092   0.446   2.038  1.00  0.00           C  
HETATM    3  C   UNL     1       1.652   0.562   0.692  1.00  0.00           C  
HETATM    4  C   UNL     1       2.948   0.852   0.261  1.00  0.00           C  
HETATM    5  C   UNL     1       3.158   0.889  -1.117  1.00  0.00           C  
HETATM    6  N   UNL     1       4.438   1.175  -1.603  1.00  0.00           N  
HETATM    7  C   UNL     1       5.518   0.609  -1.029  1.00  0.00           C  
HETATM    8  S   UNL     1       5.332  -0.487   0.120  1.00  0.00           S  
HETATM    9  C   UNL     1       2.131   0.649  -2.017  1.00  0.00           C  
HETATM   10  C   UNL     1       0.838   0.359  -1.594  1.00  0.00           C  
HETATM   11  C   UNL     1       0.619   0.321  -0.235  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.219   0.144   1.969  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.614   0.047   0.568  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.677   1.072   0.277  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.544   2.350   0.792  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.507   3.307   0.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.120  -1.342   0.286  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.441  -2.428   0.809  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.886  -3.712   0.565  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.020  -3.917  -0.209  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.461  -5.180  -0.449  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.701  -2.832  -0.735  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.252  -1.540  -0.489  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.930  -0.493  -1.017  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.779   0.749  -0.498  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.749   1.711  -0.753  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.614   2.988  -0.234  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.564   3.928  -0.484  1.00  0.00           O  
HETATM   29  H   UNL     1       3.749   1.039   0.961  1.00  0.00           H  
HETATM   30  H   UNL     1       4.548   1.780  -2.353  1.00  0.00           H  
HETATM   31  H   UNL     1       6.510   0.896  -1.346  1.00  0.00           H  
HETATM   32  H   UNL     1       2.341   0.688  -3.076  1.00  0.00           H  
HETATM   33  H   UNL     1       0.042   0.174  -2.299  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.683   2.600   1.394  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.399   4.302   0.943  1.00  0.00           H  
HETATM   36  H   UNL     1       0.442  -2.271   1.412  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.352  -4.557   0.976  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.091  -5.508   0.207  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.584  -2.990  -1.337  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.610   1.462  -1.356  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.276   3.951   0.171  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   12    3    1    1                                       
CONECT    3   11    2    4    4                                       
CONECT    4    3    3    5   29                                       
CONECT    5    9    9    4    6                                       
CONECT    6    5    7   30                                            
CONECT    7    6    8    8   31                                       
CONECT    8    7    7                                                 
CONECT    9   10    5    5   32                                       
CONECT   10   11   11    9   33                                       
CONECT   11   13   10   10    3                                       
CONECT   12   13    2                                                 
CONECT   13   17   12   11   14                                       
CONECT   14   13   25   25   15                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   27   35                                       
CONECT   17   18   18   23   13                                       
CONECT   18   19   17   17   36                                       
CONECT   19   20   20   18   37                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20   38                                                 
CONECT   22   20   23   23   39                                       
CONECT   23   22   22   17   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   14   14   26                                       
CONECT   26   25   27   27   40                                       
CONECT   27   26   26   16   28                                       
CONECT   28   27   41                                                 
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   26                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
