COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.299  -0.148  -0.442  1.00  0.00           C  
HETATM    2  C   UNL     1       3.121   0.641   0.688  1.00  0.00           C  
HETATM    3  C   UNL     1       2.336  -0.154  -1.442  1.00  0.00           C  
HETATM    4  C   UNL     1       1.202   0.624  -1.313  1.00  0.00           C  
HETATM    5  C   UNL     1       1.025   1.412  -0.184  1.00  0.00           C  
HETATM    6  C   UNL     1       1.989   1.418   0.817  1.00  0.00           C  
HETATM    7  C   UNL     1       4.842  -1.442  -1.886  1.00  0.00           C  
HETATM    8  C   UNL     1       4.169   0.644   1.771  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.546  -0.513   1.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.640  -1.614   0.184  1.00  0.00           C  
HETATM   11  C   UNL     1       4.799  -0.745   1.877  1.00  0.00           C  
HETATM   12  C   UNL     1       5.194  -1.234   0.510  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.855   0.260   0.826  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.190  -0.403   0.601  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.285  -1.500  -0.234  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.321   0.094   1.221  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.509  -2.107  -0.441  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.124   2.200  -0.053  1.00  0.00           N  
HETATM   19  N   UNL     1       4.447  -0.940  -0.567  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.445   0.997  -1.705  1.00  0.00           O  
HETATM   21  O   UNL     1       6.194  -1.909   0.380  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.514   2.636  -0.192  1.00  0.00           O  
HETATM   23  S   UNL     1      -1.610   1.562  -0.412  1.00  0.00           S  
HETATM   24  C   UNL     1      -6.975  -2.277  -0.041  1.00  0.00           C  
HETATM   25  H   UNL     1       2.474  -0.766  -2.321  1.00  0.00           H  
HETATM   26  H   UNL     1       0.453   0.619  -2.091  1.00  0.00           H  
HETATM   27  H   UNL     1       1.851   2.031   1.696  1.00  0.00           H  
HETATM   28  H   UNL     1       5.757  -2.027  -1.793  1.00  0.00           H  
HETATM   29  H   UNL     1       4.048  -2.070  -2.288  1.00  0.00           H  
HETATM   30  H   UNL     1       5.015  -0.601  -2.558  1.00  0.00           H  
HETATM   31  H   UNL     1       4.940   1.375   1.528  1.00  0.00           H  
HETATM   32  H   UNL     1       3.706   0.907   2.722  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.430  -0.125   1.499  1.00  0.00           H  
HETATM   34  H   UNL     1       5.683  -0.693   2.513  1.00  0.00           H  
HETATM   35  H   UNL     1       4.079  -1.436   2.314  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.830   0.698   1.824  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.061  -0.482   0.735  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.403  -1.882  -0.726  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.248   0.957   1.867  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.583  -2.968  -1.089  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.050   3.119   0.248  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.124  -3.056   0.706  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.768  -1.534   0.045  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.997  -2.718  -1.037  1.00  0.00           H  
CONECT    1   19    3    3    2                                       
CONECT    2    1    8    6    6                                       
CONECT    3    1    1    4   25                                       
CONECT    4    3    5    5   26                                       
CONECT    5    4    4    6   18                                       
CONECT    6    2    2    5   27                                       
CONECT    7   19   28   29   30                                       
CONECT    8   11    2   31   32                                       
CONECT    9   10   16   16   33                                       
CONECT   10   24   17   17    9                                       
CONECT   11   12    8   34   35                                       
CONECT   12   21   21   19   11                                       
CONECT   13   23   14   36   37                                       
CONECT   14   15   15   16   13                                       
CONECT   15   17   14   14   38                                       
CONECT   16    9    9   14   39                                       
CONECT   17   10   10   15   40                                       
CONECT   18    5   23   41                                            
CONECT   19    7   12    1                                            
CONECT   20   23   23                                                 
CONECT   21   12   12                                                 
CONECT   22   23   23                                                 
CONECT   23   18   22   22   20                                       
CONECT   23   20   13                                                 
CONECT   24   10   42   43   44                                       
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
