COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.182  -2.411   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       4.577  -0.419  -0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       6.053   1.338  -0.015  1.00  0.00           C  
HETATM    4  C   UNL     1       3.497   0.424   0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       2.131  -0.141   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.703   0.714  -0.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.495  -0.221  -0.010  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.548  -1.007   1.301  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.521  -1.195  -1.190  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.227   0.592  -0.058  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.888  -0.097   0.009  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.158   0.089   0.024  1.00  0.00           C  
HETATM   13  C   UNL     1       0.698  -2.047   0.209  1.00  0.00           C  
HETATM   14  C   UNL     1       1.976  -1.523   0.191  1.00  0.00           C  
HETATM   15  C   UNL     1       4.336  -1.878  -0.529  1.00  0.00           C  
HETATM   16  C   UNL     1       5.030   2.235   0.232  1.00  0.00           C  
HETATM   17  C   UNL     1       3.722   1.780   0.250  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.335  -1.222   0.121  1.00  0.00           N  
HETATM   19  N   UNL     1       5.805   0.062  -0.239  1.00  0.00           N  
HETATM   20  N   UNL     1       1.053   0.629  -0.003  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.283   1.794  -0.149  1.00  0.00           O  
HETATM   22  S   UNL     1      -1.569   1.140  -0.070  1.00  0.00           S  
HETATM   23  H   UNL     1       3.491  -2.453   1.360  1.00  0.00           H  
HETATM   24  H   UNL     1       2.925  -3.415  -0.023  1.00  0.00           H  
HETATM   25  H   UNL     1       7.075   1.688  -0.024  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.621   0.126  -0.060  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.685   1.408   0.746  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.665   1.274  -1.029  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.466  -1.594   1.336  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.688  -1.673   1.361  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.530  -0.313   2.141  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.483  -0.635  -2.125  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.661  -1.861  -1.130  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.439  -1.783  -1.156  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.811  -0.651   0.944  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.791  -0.785  -0.831  1.00  0.00           H  
HETATM   37  H   UNL     1       0.543  -3.112   0.294  1.00  0.00           H  
HETATM   38  H   UNL     1       5.239  -2.443  -0.300  1.00  0.00           H  
HETATM   39  H   UNL     1       4.095  -2.000  -1.585  1.00  0.00           H  
HETATM   40  H   UNL     1       5.249   3.278   0.409  1.00  0.00           H  
HETATM   41  H   UNL     1       2.901   2.455   0.440  1.00  0.00           H  
CONECT    1   15   14   23   24                                       
CONECT    2   19   15    4    4                                       
CONECT    3   19   19   16   25                                       
CONECT    4    2    2   17    5                                       
CONECT    5    4   14   14   20                                       
CONECT    6    7   26   27   28                                       
CONECT    7    8   10    6    9                                       
CONECT    8    7   29   30   31                                       
CONECT    9    7   32   33   34                                       
CONECT   10   11    7   21   21                                       
CONECT   11   22   10   35   36                                       
CONECT   12   20   20   18   22                                       
CONECT   13   14   18   18   37                                       
CONECT   14    1    5    5   13                                       
CONECT   15    2    1   38   39                                       
CONECT   16    3   17   17   40                                       
CONECT   17   16   16    4   41                                       
CONECT   18   13   13   12                                            
CONECT   19    3    3    2                                            
CONECT   20    5   12   12                                            
CONECT   21   10   10                                                 
CONECT   22   12   11                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
