COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.878  -2.494  -0.065  1.00  0.00           C  
HETATM    2  C   UNL     1       1.196  -2.899   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1       2.260  -3.214   2.296  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.196   1.181   0.772  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.184   3.114   0.361  1.00  0.00           O  
HETATM    6  C   UNL     1       0.815  -2.178  -1.119  1.00  0.00           C  
HETATM    7  C   UNL     1       0.042  -0.924  -0.704  1.00  0.00           C  
HETATM    8  C   UNL     1       0.963   0.268  -0.741  1.00  0.00           C  
HETATM    9  C   UNL     1       4.932   2.499   0.075  1.00  0.00           C  
HETATM   10  C   UNL     1       4.547   0.141  -0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       3.937   1.516  -0.638  1.00  0.00           C  
HETATM   12  C   UNL     1       4.435   3.945   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.387   1.002  -0.075  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.175   1.772   0.384  1.00  0.00           C  
HETATM   15  C   UNL     1       5.117   0.371   1.188  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.047   1.070   1.117  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.303   0.385   0.574  1.00  0.00           C  
HETATM   18  C   UNL     1       6.354   2.374  -0.476  1.00  0.00           C  
HETATM   19  C   UNL     1       2.679   1.670   0.272  1.00  0.00           C  
HETATM   20  C   UNL     1       4.797   1.864   1.504  1.00  0.00           C  
HETATM   21  C   UNL     1       3.712   1.749  -2.134  1.00  0.00           C  
HETATM   22  C   UNL     1       3.249   1.900   1.690  1.00  0.00           C  
HETATM   23  N   UNL     1       1.872   0.448   0.237  1.00  0.00           N  
HETATM   24  O   UNL     1       0.887   1.065  -1.652  1.00  0.00           O  
HETATM   25  C   UNL     1       3.141  -4.364   1.803  1.00  0.00           C  
HETATM   26  C   UNL     1       3.823  -3.959   0.495  1.00  0.00           C  
HETATM   27  C   UNL     1       2.760  -3.643  -0.558  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.072  -0.709  -1.630  1.00  0.00           N  
HETATM   29  S   UNL     1      -2.579  -1.290  -1.262  1.00  0.00           S  
HETATM   30  O   UNL     1      -3.421  -0.942  -2.352  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.395  -2.628  -0.818  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.128  -0.435   0.046  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.589   1.379   0.793  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.845   0.694   0.249  1.00  0.00           C  
HETATM   35  N   UNL     1      -9.457   0.747   1.408  1.00  0.00           N  
HETATM   36  H   UNL     1       2.495  -1.611   0.104  1.00  0.00           H  
HETATM   37  H   UNL     1       0.569  -2.079   1.594  1.00  0.00           H  
HETATM   38  H   UNL     1       0.580  -3.782   1.073  1.00  0.00           H  
HETATM   39  H   UNL     1       2.877  -2.331   2.466  1.00  0.00           H  
HETATM   40  H   UNL     1       1.775  -3.502   3.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.384   3.563   0.665  1.00  0.00           H  
HETATM   42  H   UNL     1       1.296  -2.007  -2.082  1.00  0.00           H  
HETATM   43  H   UNL     1       0.125  -3.019  -1.202  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.345  -1.054   0.306  1.00  0.00           H  
HETATM   45  H   UNL     1       3.774  -0.627  -0.210  1.00  0.00           H  
HETATM   46  H   UNL     1       5.344  -0.142  -0.919  1.00  0.00           H  
HETATM   47  H   UNL     1       3.471   4.010   0.546  1.00  0.00           H  
HETATM   48  H   UNL     1       5.155   4.589   0.544  1.00  0.00           H  
HETATM   49  H   UNL     1       4.323   4.266  -0.996  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.599   1.247  -1.116  1.00  0.00           H  
HETATM   51  H   UNL     1       4.624  -0.284   1.906  1.00  0.00           H  
HETATM   52  H   UNL     1       6.194   0.201   1.197  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.186   2.151   1.097  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.871   0.745   2.143  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.479   0.710  -0.451  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.165  -0.696   0.594  1.00  0.00           H  
HETATM   57  H   UNL     1       6.352   2.605  -1.541  1.00  0.00           H  
HETATM   58  H   UNL     1       7.008   3.072   0.046  1.00  0.00           H  
HETATM   59  H   UNL     1       6.714   1.356  -0.326  1.00  0.00           H  
HETATM   60  H   UNL     1       2.085   2.528  -0.043  1.00  0.00           H  
HETATM   61  H   UNL     1       5.383   2.331   2.296  1.00  0.00           H  
HETATM   62  H   UNL     1       4.660   1.651  -2.662  1.00  0.00           H  
HETATM   63  H   UNL     1       3.007   1.010  -2.514  1.00  0.00           H  
HETATM   64  H   UNL     1       3.310   2.750  -2.290  1.00  0.00           H  
HETATM   65  H   UNL     1       2.935   2.871   2.073  1.00  0.00           H  
HETATM   66  H   UNL     1       2.928   1.104   2.362  1.00  0.00           H  
HETATM   67  H   UNL     1       1.991  -0.231   0.919  1.00  0.00           H  
HETATM   68  H   UNL     1       3.899  -4.588   2.554  1.00  0.00           H  
HETATM   69  H   UNL     1       2.525  -5.247   1.634  1.00  0.00           H  
HETATM   70  H   UNL     1       4.440  -3.076   0.665  1.00  0.00           H  
HETATM   71  H   UNL     1       4.451  -4.778   0.144  1.00  0.00           H  
HETATM   72  H   UNL     1       2.143  -4.526  -0.728  1.00  0.00           H  
HETATM   73  H   UNL     1       3.245  -3.355  -1.490  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.928  -0.227  -2.459  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.278  -0.885   0.892  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.413   1.054   1.818  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.727   2.460   0.773  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.707  -0.387   0.269  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.021   1.018  -0.776  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.568   1.748   1.458  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.300   0.306   1.069  1.00  0.00           H  
CONECT    1    6   27    2   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2   25   39   40                                       
CONECT    4   14   14                                                 
CONECT    5   14   41                                                 
CONECT    6    7    1   42   43                                       
CONECT    7    8   28    6   44                                       
CONECT    8   24   24   23    7                                       
CONECT    9   12   18   11   20                                       
CONECT   10   11   15   45   46                                       
CONECT   11    9   21   19   10                                       
CONECT   12    9   47   48   49                                       
CONECT   13   14   32   33   50                                       
CONECT   14    4    4    5   13                                       
CONECT   15   20   10   51   52                                       
CONECT   16   34   17   53   54                                       
CONECT   17   35   16   55   56                                       
CONECT   18    9   57   58   59                                       
CONECT   19   11   22   23   60                                       
CONECT   20    9   22   15   61                                       
CONECT   21   11   62   63   64                                       
CONECT   22   20   19   65   66                                       
CONECT   23   19    8   67                                            
CONECT   24    8    8                                                 
CONECT   25   26    3   68   69                                       
CONECT   26   27   25   70   71                                       
CONECT   27    1   26   72   73                                       
CONECT   28    7   29   74                                            
CONECT   29   31   31   28   30                                       
CONECT   29   30   32                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   13   75                                            
CONECT   33   13   34   76   77                                       
CONECT   34   33   16   78   79                                       
CONECT   35   17   80   81                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
