COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.170   1.061  -0.010  1.00  0.00           C  
HETATM    2  C   UNL     1       5.455   0.429  -0.550  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.791   0.676   0.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.216   0.725   0.370  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.422  -0.094  -0.095  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.706   0.538   0.446  1.00  0.00           C  
HETATM    7  C   UNL     1       7.987   0.529  -0.450  1.00  0.00           C  
HETATM    8  C   UNL     1       6.676   1.280  -0.150  1.00  0.00           C  
HETATM    9  C   UNL     1       2.964   0.241  -0.474  1.00  0.00           C  
HETATM   10  C   UNL     1       1.680   0.873   0.067  1.00  0.00           C  
HETATM   11  C   UNL     1       0.474   0.054  -0.398  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.986   0.121  -0.148  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.734   1.676   0.819  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.313  -0.308  -1.509  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.145  -1.708   0.524  1.00  0.00           O  
HETATM   16  O   UNL     1      -8.337   0.287   0.491  1.00  0.00           O  
HETATM   17  S   UNL     1       5.723  -1.216   0.215  1.00  0.00           S  
HETATM   18  S   UNL     1       7.790  -1.135   0.297  1.00  0.00           S  
HETATM   19  S   UNL     1      -7.136  -0.434  -0.105  1.00  0.00           S  
HETATM   20  H   UNL     1       4.203   1.074   1.080  1.00  0.00           H  
HETATM   21  H   UNL     1       4.082   2.081  -0.383  1.00  0.00           H  
HETATM   22  H   UNL     1       5.400   0.335  -1.635  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.304   1.745  -0.004  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.183   0.738   1.459  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.454  -0.107  -1.184  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.333  -1.114   0.278  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.674   0.551   1.535  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.794   1.558   0.073  1.00  0.00           H  
HETATM   29  H   UNL     1       8.134   0.443  -1.527  1.00  0.00           H  
HETATM   30  H   UNL     1       8.831   1.048   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1       6.661   2.215  -0.710  1.00  0.00           H  
HETATM   32  H   UNL     1       6.625   1.501   0.916  1.00  0.00           H  
HETATM   33  H   UNL     1       2.932   0.228  -1.564  1.00  0.00           H  
HETATM   34  H   UNL     1       3.053  -0.779  -0.101  1.00  0.00           H  
HETATM   35  H   UNL     1       1.712   0.886   1.156  1.00  0.00           H  
HETATM   36  H   UNL     1       1.592   1.893  -0.306  1.00  0.00           H  
HETATM   37  H   UNL     1       0.563  -0.967  -0.024  1.00  0.00           H  
HETATM   38  H   UNL     1       0.442   0.040  -1.487  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.032  -0.679  -0.695  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.186  -0.123   0.279  1.00  0.00           H  
CONECT    1    2    9   20   21                                       
CONECT    2    8    1   17   22                                       
CONECT    3   11   12   13   13                                       
CONECT    4   12    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5   19   27   28                                       
CONECT    7    8   18   29   30                                       
CONECT    8    7    2   31   32                                       
CONECT    9    1   10   33   34                                       
CONECT   10    9   11   35   36                                       
CONECT   11   10    3   37   38                                       
CONECT   12    3    4   39                                            
CONECT   13    3    3                                                 
CONECT   14   19   19                                                 
CONECT   15   19   19                                                 
CONECT   16   19   40                                                 
CONECT   17    2   18                                                 
CONECT   18    7   17                                                 
CONECT   19    6   15   15   14                                       
CONECT   19   14   16                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
