COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.827   3.512  -0.107  1.00  0.00           C  
HETATM    2  C   UNL     1       1.512   3.445   1.260  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.054   0.009   1.130  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.885  -1.898   0.883  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.187  -0.592   0.460  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.317   0.316   1.893  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.454   0.513   0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.822   1.966  -0.405  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.555   0.919  -0.875  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.684   1.159  -1.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.253  -0.386  -0.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.986  -1.492  -0.916  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.664  -2.742  -0.485  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.616  -2.944   0.412  1.00  0.00           C  
HETATM   15  C   UNL     1       0.319  -1.295   0.876  1.00  0.00           C  
HETATM   16  C   UNL     1       1.490  -1.551   0.169  1.00  0.00           C  
HETATM   17  O   UNL     1       4.182  -1.864   0.921  1.00  0.00           O  
HETATM   18  C   UNL     1       4.490  -1.534  -0.200  1.00  0.00           C  
HETATM   19  O   UNL     1       5.687  -1.881  -0.697  1.00  0.00           O  
HETATM   20  C   UNL     1       3.528  -0.733  -1.040  1.00  0.00           C  
HETATM   21  C   UNL     1       4.195   0.584  -1.430  1.00  0.00           C  
HETATM   22  S   UNL     1       3.095   1.859  -0.748  1.00  0.00           S  
HETATM   23  C   UNL     1       1.917   0.741  -0.045  1.00  0.00           C  
HETATM   24  C   UNL     1       0.761   1.033   0.661  1.00  0.00           C  
HETATM   25  C   UNL     1       0.384   2.469   0.920  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.775   1.764   0.491  1.00  0.00           C  
HETATM   27  O   UNL     1       1.811  -2.708  -0.050  1.00  0.00           O  
HETATM   28  N   UNL     1       2.290  -0.541  -0.286  1.00  0.00           N  
HETATM   29  H   UNL     1       0.157   4.352  -0.293  1.00  0.00           H  
HETATM   30  H   UNL     1       1.392   3.160  -0.970  1.00  0.00           H  
HETATM   31  H   UNL     1       2.527   3.048   1.296  1.00  0.00           H  
HETATM   32  H   UNL     1       1.292   4.240   1.973  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.073  -2.070   1.574  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.549  -0.514   2.560  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.177   1.224   2.478  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.057   2.968  -0.732  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.304   1.113  -2.864  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.449   0.395  -1.706  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.117   2.143  -1.661  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.800  -1.350  -1.611  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.229  -3.590  -0.842  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.378  -3.947   0.735  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.295  -2.112   1.223  1.00  0.00           H  
HETATM   44  H   UNL     1       6.269  -2.395  -0.121  1.00  0.00           H  
HETATM   45  H   UNL     1       3.304  -1.294  -1.947  1.00  0.00           H  
HETATM   46  H   UNL     1       5.186   0.656  -0.984  1.00  0.00           H  
HETATM   47  H   UNL     1       4.258   0.672  -2.515  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.578   2.621   1.410  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.210   2.612   0.849  1.00  0.00           H  
CONECT    1    2   25   29   30                                       
CONECT    2    1   25   31   32                                       
CONECT    3    6   24   15   15                                       
CONECT    4    5   14   14   33                                       
CONECT    5    7    7   11    4                                       
CONECT    6    7    3   34   35                                       
CONECT    7   26    6    5    5                                       
CONECT    8   26   26    9   36                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   37   38   39                                       
CONECT   11    9    9    5   12                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14    4    4   13   42                                       
CONECT   15    3    3   16   43                                       
CONECT   16   15   28   27   27                                       
CONECT   17   18   18                                                 
CONECT   18   20   17   17   19                                       
CONECT   19   18   44                                                 
CONECT   20   28   21   18   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   22   28                                       
CONECT   24   25    3   23   23                                       
CONECT   25    2    1   24   48                                       
CONECT   26    8    8    7   49                                       
CONECT   27   16   16                                                 
CONECT   28   23   16   20                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
