COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.147  -1.003  -1.038  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.396  -1.627  -0.503  1.00  0.00           C  
HETATM    3  C   UNL     1       4.481  -0.709   0.091  1.00  0.00           C  
HETATM    4  C   UNL     1       4.365   0.224  -0.924  1.00  0.00           C  
HETATM    5  C   UNL     1       3.579   1.345  -0.747  1.00  0.00           C  
HETATM    6  C   UNL     1       2.904   1.536   0.451  1.00  0.00           C  
HETATM    7  C   UNL     1       3.022   0.598   1.469  1.00  0.00           C  
HETATM    8  C   UNL     1       3.810  -0.522   1.285  1.00  0.00           C  
HETATM    9  N   UNL     1       2.108   2.669   0.634  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.343   1.435   0.653  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.706   1.343  -0.036  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.490   0.266   0.573  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.732  -0.001   0.124  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.202   0.653  -0.787  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.453  -0.992   0.685  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.777  -1.206   0.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.454  -1.215  -1.428  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.031  -1.830   0.815  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.725  -1.620   1.212  1.00  0.00           C  
HETATM   20  S   UNL     1       5.479  -2.142  -0.142  1.00  0.00           S  
HETATM   21  O   UNL     1       6.428  -1.811  -1.146  1.00  0.00           O  
HETATM   22  O   UNL     1       5.845  -2.591   1.156  1.00  0.00           O  
HETATM   23  N   UNL     1       4.506  -3.317  -0.787  1.00  0.00           N  
HETATM   24  S   UNL     1       0.628   2.769  -0.102  1.00  0.00           S  
HETATM   25  O   UNL     1       0.124   4.037   0.294  1.00  0.00           O  
HETATM   26  O   UNL     1       0.895   2.480  -1.467  1.00  0.00           O  
HETATM   27  H   UNL     1      -5.413  -0.677  -1.760  1.00  0.00           H  
HETATM   28  H   UNL     1      -9.418  -1.791  -0.811  1.00  0.00           H  
HETATM   29  H   UNL     1       4.891   0.075  -1.856  1.00  0.00           H  
HETATM   30  H   UNL     1       3.490   2.073  -1.540  1.00  0.00           H  
HETATM   31  H   UNL     1       2.499   0.743   2.402  1.00  0.00           H  
HETATM   32  H   UNL     1       3.902  -1.252   2.076  1.00  0.00           H  
HETATM   33  H   UNL     1       2.423   3.398   1.191  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.485   1.644   1.713  1.00  0.00           H  
HETATM   35  H   UNL     1       0.187   0.489   0.538  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.236   2.288   0.079  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.563   1.133  -1.097  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.114  -0.256   1.300  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.054  -1.557   1.365  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.742  -1.058  -2.457  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.768  -2.152   1.536  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.441  -1.779   2.242  1.00  0.00           H  
HETATM   43  H   UNL     1       4.884  -3.990  -1.375  1.00  0.00           H  
HETATM   44  H   UNL     1       3.560  -3.333  -0.576  1.00  0.00           H  
CONECT    1   17   17   16   27                                       
CONECT    2   17   18   18   28                                       
CONECT    3   20    4    4    8                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7    9                                       
CONECT    7    8    8    6   31                                       
CONECT    8    3    7    7   32                                       
CONECT    9    6   24   33                                            
CONECT   10   24   11   34   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   38                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   39                                            
CONECT   16    1   15   19   19                                       
CONECT   17    1    1    2   40                                       
CONECT   18    2    2   19   41                                       
CONECT   19   16   16   18   42                                       
CONECT   20   22   22   23    3                                       
CONECT   20   21   21                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   43   44                                            
CONECT   24    9   26   26   25                                       
CONECT   24   25   10                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
