COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.696   1.400   0.560  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.804   0.752  -0.441  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.837   0.307  -1.561  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.569   0.915  -0.673  1.00  0.00           C  
HETATM    5  C   UNL     1       3.440  -5.654  -0.156  1.00  0.00           C  
HETATM    6  C   UNL     1       6.197   3.059  -0.509  1.00  0.00           C  
HETATM    7  C   UNL     1       6.894   1.919  -0.131  1.00  0.00           C  
HETATM    8  C   UNL     1       8.113   4.398   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       3.163  -3.308   0.104  1.00  0.00           C  
HETATM   10  C   UNL     1       4.963   0.542   0.054  1.00  0.00           C  
HETATM   11  C   UNL     1       4.518  -3.179  -0.166  1.00  0.00           C  
HETATM   12  C   UNL     1       5.105  -1.932  -0.183  1.00  0.00           C  
HETATM   13  C   UNL     1       4.335  -0.794   0.071  1.00  0.00           C  
HETATM   14  C   UNL     1       2.971  -0.922   0.343  1.00  0.00           C  
HETATM   15  C   UNL     1       2.388  -2.176   0.359  1.00  0.00           C  
HETATM   16  C   UNL     1       0.154  -1.368   0.196  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.079  -0.356  -0.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.328  -1.560   0.392  1.00  0.00           C  
HETATM   19  O   UNL     1       4.292   1.532   0.275  1.00  0.00           O  
HETATM   20  N   UNL     1       6.279   0.665  -0.208  1.00  0.00           N  
HETATM   21  C   UNL     1       6.809   4.295  -0.437  1.00  0.00           C  
HETATM   22  C   UNL     1       8.806   3.266   0.396  1.00  0.00           C  
HETATM   23  C   UNL     1       8.202   2.026   0.322  1.00  0.00           C  
HETATM   24  O   UNL     1       2.589  -4.539   0.114  1.00  0.00           O  
HETATM   25  N   UNL     1       1.018  -2.309   0.625  1.00  0.00           N  
HETATM   26  O   UNL     1       0.569  -0.366  -0.347  1.00  0.00           O  
HETATM   27  S   UNL     1      -3.862  -0.588   0.056  1.00  0.00           S  
HETATM   28  C   UNL     1      -6.070   0.874  -0.554  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.090   1.337   0.622  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.091   1.763   1.601  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.292   1.429   1.102  1.00  0.00           C  
HETATM   32  N   UNL     1     -10.138   0.825  -0.117  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.150   0.267  -1.488  1.00  0.00           N  
HETATM   34  H   UNL     1      -6.124   1.843   1.362  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.345  -0.099  -2.433  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.187   1.789  -0.146  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.289   0.975  -1.725  1.00  0.00           H  
HETATM   38  H   UNL     1       3.880  -5.544  -1.147  1.00  0.00           H  
HETATM   39  H   UNL     1       4.233  -5.695   0.591  1.00  0.00           H  
HETATM   40  H   UNL     1       2.857  -6.574  -0.117  1.00  0.00           H  
HETATM   41  H   UNL     1       5.179   2.979  -0.862  1.00  0.00           H  
HETATM   42  H   UNL     1       8.588   5.367   0.068  1.00  0.00           H  
HETATM   43  H   UNL     1       5.114  -4.057  -0.363  1.00  0.00           H  
HETATM   44  H   UNL     1       6.160  -1.834  -0.393  1.00  0.00           H  
HETATM   45  H   UNL     1       2.373  -0.045   0.540  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.759   0.550   0.335  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.861  -0.264  -1.244  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.648  -2.466  -0.123  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.545  -1.652   1.456  1.00  0.00           H  
HETATM   50  H   UNL     1       6.801  -0.117  -0.450  1.00  0.00           H  
HETATM   51  H   UNL     1       6.268   5.183  -0.731  1.00  0.00           H  
HETATM   52  H   UNL     1       9.825   3.349   0.744  1.00  0.00           H  
HETATM   53  H   UNL     1       8.744   1.142   0.625  1.00  0.00           H  
HETATM   54  H   UNL     1       0.692  -3.078   1.117  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.900   2.252   2.545  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.238   1.611   1.589  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.864   0.496  -0.671  1.00  0.00           H  
CONECT    1   28   28   29   34                                       
CONECT    2   33   29   29   32                                       
CONECT    3   28   33   33   35                                       
CONECT    4   27   28   36   37                                       
CONECT    5   24   38   39   40                                       
CONECT    6   21   21    7   41                                       
CONECT    7    6   23   23   20                                       
CONECT    8   22   22   21   42                                       
CONECT    9   11   11   15   24                                       
CONECT   10   20   19   19   13                                       
CONECT   11    9    9   12   43                                       
CONECT   12   11   13   13   44                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   15   45                                       
CONECT   15    9   14   14   25                                       
CONECT   16   26   26   25   18                                       
CONECT   17   27   18   46   47                                       
CONECT   18   16   17   48   49                                       
CONECT   19   10   10                                                 
CONECT   20    7   10   50                                            
CONECT   21    6    6    8   51                                       
CONECT   22    8    8   23   52                                       
CONECT   23    7    7   22   53                                       
CONECT   24    5    9                                                 
CONECT   25   15   16   54                                            
CONECT   26   16   16                                                 
CONECT   27    4   17                                                 
CONECT   28    1    1    3    4                                       
CONECT   29    1    2    2   30                                       
CONECT   30   29   31   31   55                                       
CONECT   31   30   30   32   56                                       
CONECT   32    2   31   57                                            
CONECT   33    2    3    3                                            
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
