COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.116   0.695   0.061  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.630   1.613   0.976  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.986   1.651   1.225  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.839   0.775   0.566  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.330  -0.140  -0.345  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.975  -0.182  -0.599  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.174   0.814   0.814  1.00  0.00           O  
HETATM    8  C   UNL     1       0.341   0.656  -0.214  1.00  0.00           C  
HETATM    9  C   UNL     1       1.201   1.533   0.445  1.00  0.00           C  
HETATM   10  C   UNL     1       2.556   1.492   0.186  1.00  0.00           C  
HETATM   11  C   UNL     1       3.061   0.583  -0.727  1.00  0.00           C  
HETATM   12  C   UNL     1       2.212  -0.289  -1.384  1.00  0.00           C  
HETATM   13  C   UNL     1       0.856  -0.261  -1.128  1.00  0.00           C  
HETATM   14  C   UNL     1       4.541   0.544  -1.006  1.00  0.00           C  
HETATM   15  C   UNL     1       5.216  -0.435  -0.043  1.00  0.00           C  
HETATM   16  C   UNL     1       6.691  -0.585  -0.419  1.00  0.00           C  
HETATM   17  C   UNL     1       7.320  -1.659   0.431  1.00  0.00           C  
HETATM   18  S   UNL     1       7.550   0.988  -0.137  1.00  0.00           S  
HETATM   19  C   UNL     1       7.405   1.177   1.661  1.00  0.00           C  
HETATM   20  O   UNL     1       8.922   0.821  -0.466  1.00  0.00           O  
HETATM   21  O   UNL     1       6.808   2.027  -0.762  1.00  0.00           O  
HETATM   22  C   UNL     1       6.805  -0.971  -1.895  1.00  0.00           C  
HETATM   23  N   UNL     1       8.662  -1.765   0.500  1.00  0.00           N  
HETATM   24  O   UNL     1       6.618  -2.428   1.053  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.994  -0.114   0.101  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.456   0.079   0.509  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.333  -0.915  -0.254  1.00  0.00           C  
HETATM   28  O   UNL     1       9.252  -2.774   1.299  1.00  0.00           O  
HETATM   29  N   UNL     1      -9.737  -0.730   0.137  1.00  0.00           N  
HETATM   30  C   UNL     1     -10.578  -1.815  -0.389  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.018  -1.615   0.091  1.00  0.00           C  
HETATM   32  O   UNL     1     -12.478  -0.325  -0.320  1.00  0.00           O  
HETATM   33  C   UNL     1     -11.682   0.755   0.176  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.239   0.579  -0.304  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.967   2.294   1.489  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.385   2.361   1.934  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.996  -0.819  -0.857  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.580  -0.892  -1.311  1.00  0.00           H  
HETATM   39  H   UNL     1       0.808   2.243   1.158  1.00  0.00           H  
HETATM   40  H   UNL     1       3.223   2.171   0.696  1.00  0.00           H  
HETATM   41  H   UNL     1       2.612  -0.996  -2.096  1.00  0.00           H  
HETATM   42  H   UNL     1       0.195  -0.946  -1.638  1.00  0.00           H  
HETATM   43  H   UNL     1       4.709   0.218  -2.032  1.00  0.00           H  
HETATM   44  H   UNL     1       4.964   1.539  -0.868  1.00  0.00           H  
HETATM   45  H   UNL     1       5.137  -0.055   0.976  1.00  0.00           H  
HETATM   46  H   UNL     1       4.724  -1.406  -0.108  1.00  0.00           H  
HETATM   47  H   UNL     1       7.886   0.333   2.155  1.00  0.00           H  
HETATM   48  H   UNL     1       7.891   2.103   1.969  1.00  0.00           H  
HETATM   49  H   UNL     1       6.352   1.209   1.940  1.00  0.00           H  
HETATM   50  H   UNL     1       6.351  -0.194  -2.510  1.00  0.00           H  
HETATM   51  H   UNL     1       7.856  -1.077  -2.162  1.00  0.00           H  
HETATM   52  H   UNL     1       6.290  -1.916  -2.064  1.00  0.00           H  
HETATM   53  H   UNL     1       9.223  -1.150   0.002  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.890   0.057  -0.970  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.681  -1.131   0.339  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.560  -0.093   1.581  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.768   1.096   0.272  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.229  -0.744  -1.325  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.021  -1.932  -0.017  1.00  0.00           H  
HETATM   60  H   UNL     1      10.219  -2.772   1.285  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.552  -1.799  -1.479  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.204  -2.773  -0.030  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.657  -2.385  -0.344  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.053  -1.686   1.178  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.077   1.699  -0.198  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.707   0.754   1.265  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.617   1.368   0.119  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.208   0.633  -1.392  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    7    5                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   38                                       
CONECT    7    4   25                                                 
CONECT    8    1    9    9   13                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   41                                       
CONECT   13    8   12   12   42                                       
CONECT   14   11   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   22   18   17                                       
CONECT   17   16   24   24   23                                       
CONECT   18   16   21   21   19                                       
CONECT   18   20   20                                                 
CONECT   19   18   47   48   49                                       
CONECT   20   18   18                                                 
CONECT   21   18   18                                                 
CONECT   22   16   50   51   52                                       
CONECT   23   17   28   53                                            
CONECT   24   17   17                                                 
CONECT   25    7   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   26   29   58   59                                       
CONECT   28   23   60                                                 
CONECT   29   27   30   34                                            
CONECT   30   29   31   61   62                                       
CONECT   31   30   32   63   64                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   65   66                                       
CONECT   34   29   33   67   68                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
