COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.656  -0.570   1.187  1.00  0.00           C  
HETATM    2  C   UNL     1       0.655   0.579  -0.984  1.00  0.00           C  
HETATM    3  C   UNL     1       0.718  -0.489   1.187  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.185   1.643   0.129  1.00  0.00           C  
HETATM    5  C   UNL     1       6.177  -1.657   0.057  1.00  0.00           C  
HETATM    6  C   UNL     1       3.258  -2.328   0.046  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.059   0.641   0.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.738   0.973   0.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.860  -0.173   0.096  1.00  0.00           C  
HETATM   10  C   UNL     1       3.559   1.355   0.126  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.943  -2.687   0.048  1.00  0.00           C  
HETATM   12  C   UNL     1       2.952   2.685   0.162  1.00  0.00           C  
HETATM   13  O   UNL     1       1.741   2.801   0.166  1.00  0.00           O  
HETATM   14  O   UNL     1       3.736   3.783   0.190  1.00  0.00           O  
HETATM   15  S   UNL     1       5.284   1.037   0.117  1.00  0.00           S  
HETATM   16  C   UNL     1       5.056  -0.650   0.080  1.00  0.00           C  
HETATM   17  C   UNL     1       6.555  -1.965  -1.394  1.00  0.00           C  
HETATM   18  C   UNL     1       2.860   0.172   0.101  1.00  0.00           C  
HETATM   19  C   UNL     1       3.734  -0.977   0.075  1.00  0.00           C  
HETATM   20  N   UNL     1       2.880  -3.399   0.023  1.00  0.00           N  
HETATM   21  C   UNL     1       1.384   0.086   0.101  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.384  -0.082   0.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.718   0.493  -0.986  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.267   2.325   0.143  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.893   3.397   0.163  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.554  -1.359   0.073  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.732  -2.799   0.047  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.723  -3.788   0.027  1.00  0.00           O  
HETATM   29  S   UNL     1      -5.281  -1.047   0.085  1.00  0.00           S  
HETATM   30  C   UNL     1      -6.565   2.010  -1.306  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.171  -1.014   2.026  1.00  0.00           H  
HETATM   32  H   UNL     1       1.170   1.023  -1.823  1.00  0.00           H  
HETATM   33  H   UNL     1       1.281  -0.870   2.026  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.048   1.210   0.634  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.864   2.539   0.661  1.00  0.00           H  
HETATM   36  H   UNL     1       7.043  -1.248   0.578  1.00  0.00           H  
HETATM   37  H   UNL     1       5.854  -2.573   0.551  1.00  0.00           H  
HETATM   38  H   UNL     1       3.245   4.616   0.212  1.00  0.00           H  
HETATM   39  H   UNL     1       6.878  -1.049  -1.888  1.00  0.00           H  
HETATM   40  H   UNL     1       7.366  -2.693  -1.411  1.00  0.00           H  
HETATM   41  H   UNL     1       5.689  -2.373  -1.916  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.281   0.874  -1.825  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.229  -4.619   0.011  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.379   2.735  -1.293  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.701   2.443  -1.812  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.885   1.114  -1.838  1.00  0.00           H  
CONECT    1    3    3   22   31                                       
CONECT    2   21   21   23   32                                       
CONECT    3    1    1   21   33                                       
CONECT    4    7   30   34   35                                       
CONECT    5   16   17   36   37                                       
CONECT    6   19   20   20   20                                       
CONECT    7    4   29    8    8                                       
CONECT    8    7    7    9   24                                       
CONECT    9    8   26   26   22                                       
CONECT   10   12   15   18   18                                       
CONECT   11   27   27   28   26                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   38                                                 
CONECT   15   10   16                                                 
CONECT   16    5   15   19   19                                       
CONECT   17    5   39   40   41                                       
CONECT   18   10   10   21   19                                       
CONECT   19    6   16   16   18                                       
CONECT   20    6    6    6                                            
CONECT   21    2    2    3   18                                       
CONECT   22    1    9   23   23                                       
CONECT   23    2   22   22   42                                       
CONECT   24    8   25   25   25                                       
CONECT   25   24   24   24                                            
CONECT   26    9    9   11   29                                       
CONECT   27   11   11                                                 
CONECT   28   11   43                                                 
CONECT   29    7   26                                                 
CONECT   30    4   44   45   46                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   23                                                      
CONECT   43   28                                                      
CONECT   44   30                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
