COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.957   1.880   0.633  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.571   2.439  -0.680  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.654   1.824  -1.759  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.017   0.677  -1.183  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.480   0.483   0.162  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.338  -0.015   1.050  1.00  0.00           C  
HETATM    7  S   UNL     1       0.126   1.091   0.923  1.00  0.00           S  
HETATM    8  CA  UNL     1      -0.778  -1.326   0.530  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.671  -2.435   0.118  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.876  -2.303   0.192  1.00  0.00           O  
HETATM   11  OXT UNL     1      -1.147  -3.588  -0.340  1.00  0.00           O  
HETATM   12  N   UNL     1       0.473  -1.437   0.463  1.00  0.00           N  
HETATM   13  C   UNL     1       1.319  -0.309   0.886  1.00  0.00           C  
HETATM   14  C   UNL     1       2.429  -0.050  -0.135  1.00  0.00           C  
HETATM   15  C   UNL     1       3.259   1.156   0.310  1.00  0.00           C  
HETATM   16  C   UNL     1       4.369   1.415  -0.710  1.00  0.00           C  
HETATM   17  O   UNL     1       2.417   2.307   0.400  1.00  0.00           O  
HETATM   18  C   UNL     1       3.317  -1.263  -0.230  1.00  0.00           C  
HETATM   19  O   UNL     1       3.440  -1.840  -1.283  1.00  0.00           O  
HETATM   20  H   UNL     1      -2.116   2.491   0.964  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.710   1.796   1.415  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.599   2.097  -0.803  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.518   3.528  -0.700  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.249   1.523  -2.621  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.902   2.552  -2.064  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.309  -0.225   0.179  1.00  0.00           H  
HETATM   27  HXT UNL     1      -1.770  -4.281  -0.597  1.00  0.00           H  
HETATM   28  H   UNL     1       1.736  -0.488   1.876  1.00  0.00           H  
HETATM   29  H   UNL     1       1.986   0.154  -1.110  1.00  0.00           H  
HETATM   30  H   UNL     1       3.702   0.953   1.285  1.00  0.00           H  
HETATM   31  H   UNL     1       3.927   1.619  -1.685  1.00  0.00           H  
HETATM   32  H   UNL     1       4.961   2.274  -0.393  1.00  0.00           H  
HETATM   33  H   UNL     1       5.012   0.537  -0.779  1.00  0.00           H  
HETATM   34  H   UNL     1       1.989   2.547  -0.433  1.00  0.00           H  
HETATM   35  H   UNL     1       3.843  -1.617   0.645  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.665  -0.114   2.085  1.00  0.00           H  
CONECT    1    2    5   20   21                                       
CONECT    2    1    3   22   23                                       
CONECT    3    2    4   24   25                                       
CONECT    4    3    5                                                 
CONECT    5    1    6    4   26                                       
CONECT    6    7    8    5   36                                       
CONECT    7   13    6                                                 
CONECT    8   12   12    6    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   27                                                 
CONECT   12   13    8    8                                            
CONECT   13    7   12   14   28                                       
CONECT   14   13   15   18   29                                       
CONECT   15   17   16   14   30                                       
CONECT   16   15   31   32   33                                       
CONECT   17   15   34                                                 
CONECT   18   14   19   19   35                                       
CONECT   19   18   18                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36    6                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
