COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.480   1.338  -0.119  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.146   0.452  -0.964  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.490   0.112  -0.767  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.193   0.675   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.537   1.580   1.146  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.218   1.903   0.937  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.517  -0.978  -1.685  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.908  -0.686  -0.653  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.591   0.213   0.355  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.202  -1.218  -0.726  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.157  -0.854   0.194  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.845   0.044   1.203  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.581   0.576   1.289  1.00  0.00           C  
HETATM   14  S   UNL     1       2.173   1.751  -0.375  1.00  0.00           S  
HETATM   15  O   UNL     1       2.444   1.503  -1.748  1.00  0.00           O  
HETATM   16  O   UNL     1       2.375   3.015   0.241  1.00  0.00           O  
HETATM   17  N   UNL     1       3.079   0.662   0.484  1.00  0.00           N  
HETATM   18  C   UNL     1       3.062  -0.756   0.117  1.00  0.00           C  
HETATM   19  C   UNL     1       4.447  -1.361   0.355  1.00  0.00           C  
HETATM   20  C   UNL     1       4.429  -2.842  -0.029  1.00  0.00           C  
HETATM   21  C   UNL     1       5.479  -0.625  -0.501  1.00  0.00           C  
HETATM   22  C   UNL     1       2.045  -1.481   0.960  1.00  0.00           C  
HETATM   23  O   UNL     1       1.400  -0.876   1.783  1.00  0.00           O  
HETATM   24  O   UNL     1       1.855  -2.800   0.796  1.00  0.00           O  
HETATM   25  H   UNL     1       0.403   0.015  -1.786  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.074   2.024   1.971  1.00  0.00           H  
HETATM   27  H   UNL     1       0.278   2.595   1.602  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.451  -1.918  -1.510  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.153  -1.268   0.130  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.598   0.328   1.923  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.345   1.275   2.078  1.00  0.00           H  
HETATM   32  H   UNL     1       3.620   0.963   1.230  1.00  0.00           H  
HETATM   33  H   UNL     1       3.694  -3.367   0.581  1.00  0.00           H  
HETATM   34  H   UNL     1       4.165  -2.941  -1.082  1.00  0.00           H  
HETATM   35  H   UNL     1       5.416  -3.273   0.141  1.00  0.00           H  
HETATM   36  H   UNL     1       4.710  -1.262   1.408  1.00  0.00           H  
HETATM   37  H   UNL     1       5.492   0.430  -0.228  1.00  0.00           H  
HETATM   38  H   UNL     1       6.466  -1.056  -0.331  1.00  0.00           H  
HETATM   39  H   UNL     1       5.215  -0.724  -1.554  1.00  0.00           H  
HETATM   40  H   UNL     1       2.798  -0.855  -0.936  1.00  0.00           H  
HETATM   41  H   UNL     1       1.192  -3.221   1.360  1.00  0.00           H  
CONECT    1    2    2    6   14                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    9    5                                       
CONECT    5    4   26    6    6                                       
CONECT    6    1    5    5   27                                       
CONECT    7    3    8                                                 
CONECT    8    7   10   10    9                                       
CONECT    9    4    8   13   13                                       
CONECT   10    8    8   11   28                                       
CONECT   11   10   29   12   12                                       
CONECT   12   11   11   30   13                                       
CONECT   13    9    9   12   31                                       
CONECT   14    1   17   15   15                                       
CONECT   14   16   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   32   18                                            
CONECT   18   17   22   19   40                                       
CONECT   19   18   21   36   20                                       
CONECT   20   19   33   34   35                                       
CONECT   21   19   37   39   38                                       
CONECT   22   18   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   41                                                 
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   17                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   18                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
