COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.141  -5.012  -0.661  1.00  0.00           C  
HETATM    2  C   UNL     1       3.675  -2.975   0.444  1.00  0.00           C  
HETATM    3  C   UNL     1       4.012  -2.239   1.570  1.00  0.00           C  
HETATM    4  O   UNL     1       3.486  -4.318   0.540  1.00  0.00           O  
HETATM    5  O   UNL     1       5.242   1.846   1.131  1.00  0.00           O  
HETATM    6  O   UNL     1       4.498   1.780  -1.254  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.904   1.145   0.352  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.194   0.528   0.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.508   0.990   1.492  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.688   0.617   2.139  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.595  -0.222   1.582  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.368  -0.755   0.300  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.123  -0.379  -0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       0.525   1.689   0.436  1.00  0.00           C  
HETATM   15  C   UNL     1       3.716  -0.973  -0.874  1.00  0.00           C  
HETATM   16  C   UNL     1       3.527  -2.339  -0.780  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.624   1.455  -0.320  1.00  0.00           C  
HETATM   18  C   UNL     1       4.205  -0.874   1.470  1.00  0.00           C  
HETATM   19  C   UNL     1       4.062  -0.243   0.248  1.00  0.00           C  
HETATM   20  C   UNL     1       1.720   1.984  -0.202  1.00  0.00           C  
HETATM   21  C   UNL     1       1.770   2.046  -1.590  1.00  0.00           C  
HETATM   22  C   UNL     1       0.632   1.813  -2.339  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.562   1.513  -1.713  1.00  0.00           C  
HETATM   24  N   UNL     1       2.873   2.220   0.550  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.013   0.919  -0.380  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.958  -1.557  -0.553  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.226  -1.030  -1.544  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.956   1.095   1.566  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.266  -1.658  -1.546  1.00  0.00           O  
HETATM   30  S   UNL     1       4.301   1.498   0.125  1.00  0.00           S  
HETATM   31  H   UNL     1       3.018  -6.073  -0.444  1.00  0.00           H  
HETATM   32  H   UNL     1       2.208  -4.611  -1.057  1.00  0.00           H  
HETATM   33  H   UNL     1       3.934  -4.880  -1.397  1.00  0.00           H  
HETATM   34  H   UNL     1       4.123  -2.731   2.525  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.825   1.663   1.991  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.886   1.012   3.125  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.494  -0.482   2.122  1.00  0.00           H  
HETATM   38  H   UNL     1       0.482   1.646   1.514  1.00  0.00           H  
HETATM   39  H   UNL     1       3.592  -0.476  -1.825  1.00  0.00           H  
HETATM   40  H   UNL     1       3.266  -2.910  -1.658  1.00  0.00           H  
HETATM   41  H   UNL     1       4.466  -0.301   2.346  1.00  0.00           H  
HETATM   42  H   UNL     1       2.702   2.276  -2.085  1.00  0.00           H  
HETATM   43  H   UNL     1       0.677   1.862  -3.417  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.449   1.332  -2.302  1.00  0.00           H  
HETATM   45  H   UNL     1       2.837   2.807   1.321  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.988   1.029  -1.344  1.00  0.00           H  
CONECT    1    4   31   32   33                                       
CONECT    2   16    4    3    3                                       
CONECT    3    2    2   18   34                                       
CONECT    4    2    1                                                 
CONECT    5   30   30                                                 
CONECT    6   30   30                                                 
CONECT    7   25   17   28   28                                       
CONECT    8   13   25    9    9                                       
CONECT    9    8    8   10   35                                       
CONECT   10   11   11    9   36                                       
CONECT   11   12   10   10   37                                       
CONECT   12   26   26   13   11                                       
CONECT   13   27   27   12    8                                       
CONECT   14   20   20   17   38                                       
CONECT   15   16   16   19   39                                       
CONECT   16   15   15    2   40                                       
CONECT   17   14    7   23   23                                       
CONECT   18   19   19    3   41                                       
CONECT   19   15   30   18   18                                       
CONECT   20   24   14   14   21                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   43                                       
CONECT   23   17   17   22   44                                       
CONECT   24   30   20   45                                            
CONECT   25    8    7   46                                            
CONECT   26   29   12   12                                            
CONECT   27   29   13   13                                            
CONECT   28    7    7                                                 
CONECT   29   27   26                                                 
CONECT   30    6    6   19    5                                       
CONECT   30    5   24                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
