COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.996   2.248   0.264  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.077   1.311  -0.211  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.114  -0.538   1.526  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.087   3.567   0.007  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.072   4.448   0.454  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.047   1.815   0.883  1.00  0.00           O  
HETATM    7  N   UNL     1      -2.747  -0.059   0.191  1.00  0.00           N  
HETATM    8  S   UNL     1      -1.961  -1.065  -0.863  1.00  0.00           S  
HETATM    9  C   UNL     1      -4.556  -1.048   1.507  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.646  -2.192   0.656  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.231  -0.570  -2.167  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.232  -0.850  -0.597  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.267  -2.391  -0.456  1.00  0.00           O  
HETATM   14  C   UNL     1       0.427  -1.640   0.328  1.00  0.00           C  
HETATM   15  C   UNL     1       1.781  -1.476   0.540  1.00  0.00           C  
HETATM   16  C   UNL     1       2.484  -0.512  -0.180  1.00  0.00           C  
HETATM   17  C   UNL     1       1.816   0.281  -1.110  1.00  0.00           C  
HETATM   18  C   UNL     1       0.463   0.104  -1.318  1.00  0.00           C  
HETATM   19  C   UNL     1       3.939  -0.327   0.048  1.00  0.00           C  
HETATM   20  C   UNL     1       4.607  -1.120   0.979  1.00  0.00           C  
HETATM   21  C   UNL     1       5.960  -0.944   1.187  1.00  0.00           C  
HETATM   22  C   UNL     1       6.652   0.018   0.474  1.00  0.00           C  
HETATM   23  C   UNL     1       5.994   0.809  -0.451  1.00  0.00           C  
HETATM   24  C   UNL     1       4.642   0.636  -0.672  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.848   3.914  -0.484  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.029   1.600   0.232  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.151   1.363  -1.297  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.446  -1.350   1.817  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.026   0.278   2.243  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.858  -1.321   2.518  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.213  -0.263   1.132  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.535  -2.569   0.596  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.120  -2.386   0.885  1.00  0.00           H  
HETATM   34  H   UNL     1       2.294  -2.093   1.263  1.00  0.00           H  
HETATM   35  H   UNL     1       2.356   1.029  -1.671  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.056   0.718  -2.039  1.00  0.00           H  
HETATM   37  H   UNL     1       4.067  -1.872   1.536  1.00  0.00           H  
HETATM   38  H   UNL     1       6.479  -1.558   1.908  1.00  0.00           H  
HETATM   39  H   UNL     1       7.711   0.153   0.640  1.00  0.00           H  
HETATM   40  H   UNL     1       6.539   1.559  -1.004  1.00  0.00           H  
HETATM   41  H   UNL     1       4.129   1.254  -1.394  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.225   5.374   0.222  1.00  0.00           H  
CONECT    1    6    6    4    2                                       
CONECT    2    1   27    7   26                                       
CONECT    3    7    9   28   29                                       
CONECT    4    5    1   25                                            
CONECT    5    4   42                                                 
CONECT    6    1    1                                                 
CONECT    7    2    8    3                                            
CONECT    8   12   13   13    7                                       
CONECT    8   11   11                                                 
CONECT    9   30   31    3   10                                       
CONECT   10    9   32                                                 
CONECT   11    8    8                                                 
CONECT   12   18   18   14    8                                       
CONECT   13    8    8                                                 
CONECT   14   15   15   12   33                                       
CONECT   15   16   34   14   14                                       
CONECT   16   19   17   17   15                                       
CONECT   17   35   16   16   18                                       
CONECT   18   17   36   12   12                                       
CONECT   19   20   20   24   16                                       
CONECT   20   21   37   19   19                                       
CONECT   21   38   22   22   20                                       
CONECT   22   39   21   21   23                                       
CONECT   23   22   40   24   24                                       
CONECT   24   23   23   19   41                                       
CONECT   25    4                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42    5                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
