COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.221   0.342  -0.509  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.613   0.811   0.896  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.071   0.043   3.146  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.166  -0.835   1.935  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.711  -1.372   0.566  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.539  -0.323   1.827  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.908   0.045  -1.268  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.633  -0.696  -1.252  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.419  -0.005  -1.153  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.313   1.919   0.236  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.477   3.200   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.715   2.250   0.753  1.00  0.00           C  
HETATM   13  O   UNL     1       7.741   0.795   0.929  1.00  0.00           O  
HETATM   14  C   UNL     1       6.803   0.019   0.868  1.00  0.00           C  
HETATM   15  C   UNL     1       5.559   0.429   0.325  1.00  0.00           C  
HETATM   16  S   UNL     1       5.043   1.970  -0.341  1.00  0.00           S  
HETATM   17  C   UNL     1       3.476   1.399  -0.677  1.00  0.00           C  
HETATM   18  N   UNL     1       6.929  -1.249   1.311  1.00  0.00           N  
HETATM   19  C   UNL     1       5.877  -2.103   1.238  1.00  0.00           C  
HETATM   20  N   UNL     1       4.730  -1.743   0.748  1.00  0.00           N  
HETATM   21  C   UNL     1       4.519  -0.487   0.275  1.00  0.00           C  
HETATM   22  C   UNL     1       3.324   0.102  -0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       2.068  -0.641  -0.488  1.00  0.00           C  
HETATM   24  O   UNL     1       1.994  -1.804  -0.139  1.00  0.00           O  
HETATM   25  N   UNL     1       0.998  -0.033  -1.039  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.221  -0.716  -1.139  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.410   1.349  -1.071  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.236  -2.100  -1.223  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.438  -2.781  -1.322  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.631  -2.092  -1.330  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.058   0.981  -2.030  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.907  -0.314  -0.437  1.00  0.00           N  
HETATM   33  H   UNL     1      -6.964  -0.366  -0.879  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.167   1.199  -1.179  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.928   1.594   1.222  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.631   1.202   0.879  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.113   0.346   3.047  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.004  -0.815   3.815  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.490   0.869   3.556  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.135  -1.638   2.671  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.502  -0.029   2.247  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.657  -1.647   0.612  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.306  -2.246   0.299  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.836   1.207   0.909  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.954   3.912  -0.499  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.404   3.635   1.170  1.00  0.00           H  
HETATM   47  H   UNL     1       0.521   2.964  -0.195  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.279   1.327   0.887  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.636   2.770   1.708  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.227   2.888   0.032  1.00  0.00           H  
HETATM   51  H   UNL     1       2.697   1.997  -1.126  1.00  0.00           H  
HETATM   52  H   UNL     1       7.773  -1.550   1.683  1.00  0.00           H  
HETATM   53  H   UNL     1       5.998  -3.115   1.597  1.00  0.00           H  
HETATM   54  H   UNL     1       1.072   0.877  -1.367  1.00  0.00           H  
HETATM   55  H   UNL     1       0.694  -2.649  -1.212  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.440  -3.859  -1.388  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.564  -2.629  -1.408  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    6    1   35   36                                       
CONECT    3    6   37   38   39                                       
CONECT    4    6    5   40   41                                       
CONECT    5    4   32   42   43                                       
CONECT    6    3    2    4                                            
CONECT    7    8   32   31   31                                       
CONECT    8    9   30   30    7                                       
CONECT    9   26   26   27    8                                       
CONECT   10   11   27   12   44                                       
CONECT   11   10   45   46   47                                       
CONECT   12   10   48   49   50                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   15   18                                       
CONECT   15   16   14   21   21                                       
CONECT   16   17   15                                                 
CONECT   17   16   22   22   51                                       
CONECT   18   14   19   52                                            
CONECT   19   18   20   20   53                                       
CONECT   20   21   19   19                                            
CONECT   21   15   15   22   20                                       
CONECT   22   17   17   21   23                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   54                                            
CONECT   26   25   28    9    9                                       
CONECT   27    9   10                                                 
CONECT   28   26   29   29   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29    8    8   57                                       
CONECT   31    7    7                                                 
CONECT   32    7    1    5                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
