COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -1.571   1.064   4.874  1.00  0.00           N  
HETATM    2  C   UNK     1      -0.767  -0.164   4.828  1.00  0.00           C  
HETATM    3  C   UNK     1       0.052  -0.276   6.087  1.00  0.00           C  
HETATM    4  O   UNK     1       0.419   0.722   6.659  1.00  0.00           O  
HETATM    5  C   UNK     1       0.163  -0.119   3.614  1.00  0.00           C  
HETATM    6  S   UNK     1      -0.824   0.014   2.099  1.00  0.00           S  
HETATM    7  C   UNK     1       0.501   0.046   0.861  1.00  0.00           C  
HETATM    8  C   UNK     1      -0.099   0.158  -0.515  1.00  0.00           C  
HETATM    9  O   UNK     1      -1.296   0.305  -0.644  1.00  0.00           O  
HETATM   10  N   UNK     1       0.692   0.094  -1.604  1.00  0.00           N  
HETATM   11  C   UNK     1       2.756  -1.096  -2.156  1.00  0.00           C  
HETATM   12  C   UNK     1       2.149   0.118  -1.452  1.00  0.00           C  
HETATM   13  C   UNK     1       2.705   1.400  -2.076  1.00  0.00           C  
HETATM   14  C   UNK     1      -1.807  -0.254  -4.279  1.00  0.00           C  
HETATM   15  C   UNK     1      -1.247  -0.166  -3.019  1.00  0.00           C  
HETATM   16  C   UNK     1       0.123   0.003  -2.880  1.00  0.00           C  
HETATM   17  C   UNK     1       0.928   0.089  -4.008  1.00  0.00           C  
HETATM   18  C   UNK     1       0.365  -0.005  -5.266  1.00  0.00           C  
HETATM   19  C   UNK     1      -1.002  -0.174  -5.402  1.00  0.00           C  
HETATM   20  F   UNK     1      -1.551  -0.261  -6.634  1.00  0.00           F  
HETATM   21  O   UNK     1       0.375  -1.485   6.572  1.00  0.00           O  
HETATM   22  H   UNK     1      -2.020   1.151   3.975  1.00  0.00           H  
HETATM   23  H   UNK     1      -0.921   1.832   4.948  1.00  0.00           H  
HETATM   24  H   UNK     1      -1.428  -1.027   4.747  1.00  0.00           H  
HETATM   25  H   UNK     1       0.759  -1.031   3.580  1.00  0.00           H  
HETATM   26  H   UNK     1       0.824   0.743   3.695  1.00  0.00           H  
HETATM   27  H   UNK     1       1.085  -0.871   0.929  1.00  0.00           H  
HETATM   28  H   UNK     1       1.149   0.903   1.045  1.00  0.00           H  
HETATM   29  H   UNK     1       2.484  -2.002  -1.616  1.00  0.00           H  
HETATM   30  H   UNK     1       2.375  -1.152  -3.176  1.00  0.00           H  
HETATM   31  H   UNK     1       3.841  -0.998  -2.179  1.00  0.00           H  
HETATM   32  H   UNK     1       2.404   0.089  -0.393  1.00  0.00           H  
HETATM   33  H   UNK     1       2.403   2.257  -1.474  1.00  0.00           H  
HETATM   34  H   UNK     1       3.793   1.345  -2.110  1.00  0.00           H  
HETATM   35  H   UNK     1       2.315   1.511  -3.087  1.00  0.00           H  
HETATM   36  H   UNK     1      -2.873  -0.387  -4.387  1.00  0.00           H  
HETATM   37  H   UNK     1      -1.876  -0.229  -2.143  1.00  0.00           H  
HETATM   38  H   UNK     1       1.994   0.222  -3.902  1.00  0.00           H  
HETATM   39  H   UNK     1       0.991   0.056  -6.143  1.00  0.00           H  
HETATM   40  H   UNK     1       0.902  -1.557   7.380  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    1    3    5   24                                       
CONECT    3    2    4    4   21                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   25   26                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   27   28                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   12   16                                            
CONECT   11   12   29   30   31                                       
CONECT   12   10   11   13   32                                       
CONECT   13   12   33   34   35                                       
CONECT   14   15   15   19   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   10   15   17   17                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19                                                      
CONECT   21    3   40                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
