COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.263   2.055   0.045  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.870   1.507   0.221  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.923  -0.047   0.720  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.315   0.501   0.544  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.920   2.229   1.416  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.192   3.409  -0.663  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.091   1.082  -0.797  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.681   0.285   0.840  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.782   2.223  -0.241  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.013  -0.220  -1.642  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.404  -0.218   1.002  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.505   1.720  -0.079  1.00  0.00           C  
HETATM   13  C   UNL     1       1.470  -0.018  -1.463  1.00  0.00           C  
HETATM   14  C   UNL     1       0.615  -3.201   0.386  1.00  0.00           C  
HETATM   15  C   UNL     1       1.942   1.125  -0.848  1.00  0.00           C  
HETATM   16  C   UNL     1       2.357  -0.980  -1.909  1.00  0.00           C  
HETATM   17  C   UNL     1       1.664  -3.713  -0.361  1.00  0.00           C  
HETATM   18  C   UNL     1       0.687  -3.244   1.766  1.00  0.00           C  
HETATM   19  C   UNL     1       3.307   1.310  -0.683  1.00  0.00           C  
HETATM   20  C   UNL     1       3.718  -0.799  -1.745  1.00  0.00           C  
HETATM   21  C   UNL     1       4.195   0.345  -1.136  1.00  0.00           C  
HETATM   22  C   UNL     1       2.752  -4.250   0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       2.754  -4.258   1.692  1.00  0.00           C  
HETATM   24  C   UNL     1       5.190   2.557   0.058  1.00  0.00           C  
HETATM   25  C   UNL     1       5.518   3.857   0.746  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.567  -0.859  -0.446  1.00  0.00           N  
HETATM   27  N   UNL     1       1.735  -3.767   2.371  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.745  -2.938  -1.763  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.899  -2.736   0.445  1.00  0.00           O  
HETATM   30  O   UNL     1       3.773   2.434  -0.078  1.00  0.00           O  
HETATM   31  O   UNL     1       4.629   4.602   1.086  1.00  0.00           O  
HETATM   32  O   UNL     1       6.798   4.187   0.983  1.00  0.00           O  
HETATM   33  S   UNL     1      -0.790  -2.500  -0.413  1.00  0.00           S  
HETATM   34  H   UNL     1      -0.217   0.778   0.817  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.886  -0.665   1.617  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.330   2.922   2.015  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.927   2.625   1.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.970   1.264   1.920  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.602   4.102  -0.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.725   3.285  -1.640  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.200   3.806  -0.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.099   1.478  -0.925  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.623   0.957  -1.774  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.142   0.117  -0.293  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.532  -0.277   1.197  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.930   3.175  -0.729  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.495   0.746  -1.794  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.191  -0.855  -2.510  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.256  -1.172   1.485  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.655   2.280  -0.441  1.00  0.00           H  
HETATM   51  H   UNL     1       1.249   1.875  -0.496  1.00  0.00           H  
HETATM   52  H   UNL     1       1.986  -1.876  -2.386  1.00  0.00           H  
HETATM   53  H   UNL     1       1.635  -3.693  -1.441  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.125  -2.844   2.355  1.00  0.00           H  
HETATM   55  H   UNL     1       4.409  -1.553  -2.094  1.00  0.00           H  
HETATM   56  H   UNL     1       5.258   0.486  -1.009  1.00  0.00           H  
HETATM   57  H   UNL     1       3.589  -4.654  -0.240  1.00  0.00           H  
HETATM   58  H   UNL     1       3.597  -4.675   2.222  1.00  0.00           H  
HETATM   59  H   UNL     1       5.653   2.542  -0.929  1.00  0.00           H  
HETATM   60  H   UNL     1       5.572   1.726   0.651  1.00  0.00           H  
HETATM   61  H   UNL     1       6.958   5.031   1.427  1.00  0.00           H  
CONECT    1    7    6    5    2                                       
CONECT    2    1    8    8    9                                       
CONECT    3    4   26   34   35                                       
CONECT    4   11   11   12    3                                       
CONECT    5    1   36   37   38                                       
CONECT    6    1   39   40   41                                       
CONECT    7    1   42   43   44                                       
CONECT    8    2    2   11   45                                       
CONECT    9    2   12   12   46                                       
CONECT   10   26   13   47   48                                       
CONECT   11    8    4    4   49                                       
CONECT   12    9    9    4   50                                       
CONECT   13   10   16   16   15                                       
CONECT   14   17   17   18   33                                       
CONECT   15   13   19   19   51                                       
CONECT   16   13   13   20   52                                       
CONECT   17   22   14   14   53                                       
CONECT   18   27   27   14   54                                       
CONECT   19   15   15   21   30                                       
CONECT   20   16   21   21   55                                       
CONECT   21   20   20   19   56                                       
CONECT   22   23   23   17   57                                       
CONECT   23   22   22   27   58                                       
CONECT   24   30   25   59   60                                       
CONECT   25   24   31   31   32                                       
CONECT   26   33   10    3                                            
CONECT   27   23   18   18                                            
CONECT   28   33   33                                                 
CONECT   29   33   33                                                 
CONECT   30   24   19                                                 
CONECT   31   25   25                                                 
CONECT   32   25   61                                                 
CONECT   33   14   28   28   26                                       
CONECT   33   29   29                                                 
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
