COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.201  -0.588  -0.481  1.00  0.00           C  
HETATM    2  C   UNL     1       4.729   0.617   0.702  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.049  -0.025  -1.416  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.829   1.266  -1.860  1.00  0.00           C  
HETATM    5  C   UNL     1       1.854   0.312   1.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.761   1.994  -1.367  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.915   1.431  -0.431  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.189  -0.929   1.210  1.00  0.00           C  
HETATM    9  C   UNL     1       0.530   0.184   1.644  1.00  0.00           C  
HETATM   10  C   UNL     1       2.496  -0.681   0.591  1.00  0.00           C  
HETATM   11  C   UNL     1       3.916  -0.570   0.252  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.134   0.140   0.012  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.370  -1.192  -0.960  1.00  0.00           O  
HETATM   14  P   UNL     1      -2.493  -0.386   0.428  1.00  0.00           P  
HETATM   15  C   UNL     1      -4.210  -0.474   1.032  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.327   0.292   2.352  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.506  -1.042   1.518  1.00  0.00           O  
HETATM   18  S   UNL     1       4.303   2.059  -0.312  1.00  0.00           S  
HETATM   19  O   UNL     1       5.180   3.178   0.233  1.00  0.00           O  
HETATM   20  O   UNL     1       4.754   1.881  -1.648  1.00  0.00           O  
HETATM   21  O   UNL     1       2.977   2.488  -0.038  1.00  0.00           O  
HETATM   22  C   UNL     1       4.481  -1.566  -0.478  1.00  0.00           C  
HETATM   23  C   UNL     1       3.699  -2.666  -0.887  1.00  0.00           C  
HETATM   24  O   UNL     1       2.397  -2.761  -0.574  1.00  0.00           O  
HETATM   25  O   UNL     1       4.218  -3.553  -1.542  1.00  0.00           O  
HETATM   26  C   UNL     1       1.775  -1.806   0.150  1.00  0.00           C  
HETATM   27  C   UNL     1       0.430  -1.920   0.466  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.118   1.029   0.212  1.00  0.00           O  
HETATM   29  H   UNL     1      -6.376  -1.595  -0.131  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.882  -0.593  -1.801  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.490   1.706  -2.591  1.00  0.00           H  
HETATM   32  H   UNL     1       2.405   1.178   1.677  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.589   3.002  -1.714  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.081   1.999  -0.046  1.00  0.00           H  
HETATM   35  H   UNL     1       0.035   0.949   2.223  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.601  -2.128  -0.893  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.051   1.334   2.192  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.354   0.239   2.713  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.659  -0.152   3.090  1.00  0.00           H  
HETATM   40  H   UNL     1       5.526  -1.516  -0.746  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.134  -2.779   0.133  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.486  -1.516   1.192  1.00  0.00           H  
HETATM   43  H   UNL     1       4.511   0.831   1.748  1.00  0.00           H  
HETATM   44  H   UNL     1       5.790   0.394   0.590  1.00  0.00           H  
HETATM   45  H   UNL     1       5.061   4.026  -0.217  1.00  0.00           H  
CONECT    1    3    3   12   29                                       
CONECT    2   11   18   43   44                                       
CONECT    3    1    1    4   30                                       
CONECT    4    3    6    6   31                                       
CONECT    5    9    9   10   32                                       
CONECT    6    4    4    7   33                                       
CONECT    7    6   12   12   34                                       
CONECT    8    9   17   27   27                                       
CONECT    9    5    5    8   35                                       
CONECT   10    5   11   26   26                                       
CONECT   11    2   10   22   22                                       
CONECT   12    1    7    7   15                                       
CONECT   13   14   36                                                 
CONECT   14   13   15   17   28                                       
CONECT   14   28                                                      
CONECT   15   12   14   16   42                                       
CONECT   16   15   37   38   39                                       
CONECT   17    8   14                                                 
CONECT   18    2   19   20   20                                       
CONECT   18   21   21                                                 
CONECT   19   18   45                                                 
CONECT   20   18   18                                                 
CONECT   21   18   18                                                 
CONECT   22   11   11   23   40                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   26                                                 
CONECT   25   23   23                                                 
CONECT   26   10   10   24   27                                       
CONECT   27    8    8   26   41                                       
CONECT   28   14   14                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
CONECT   41   27                                                      
CONECT   42   15                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45   19                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
