COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.293  -1.577   3.114  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.950  -1.050   2.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.516  -0.385   0.976  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.242   0.180   0.914  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.829   0.822  -0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.680   0.902  -1.335  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.946   0.342  -1.276  1.00  0.00           C  
HETATM    8  F   UNL     1      -5.769   0.424  -2.343  1.00  0.00           F  
HETATM    9  C   UNL     1      -5.365  -0.306  -0.129  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.588   1.373  -0.306  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.517   0.537  -0.294  1.00  0.00           C  
HETATM   12  C   UNL     1       0.769   1.058  -0.221  1.00  0.00           C  
HETATM   13  C   UNL     1       1.243   2.494  -0.147  1.00  0.00           C  
HETATM   14  C   UNL     1       2.702   2.412   0.351  1.00  0.00           C  
HETATM   15  F   UNL     1       2.757   2.502   1.746  1.00  0.00           F  
HETATM   16  F   UNL     1       3.487   3.405  -0.244  1.00  0.00           F  
HETATM   17  C   UNL     1       1.856   0.206  -0.210  1.00  0.00           C  
HETATM   18  C   UNL     1       3.136   1.010  -0.126  1.00  0.00           C  
HETATM   19  O   UNL     1       4.031   0.420   0.818  1.00  0.00           O  
HETATM   20  C   UNL     1       1.660  -1.164  -0.271  1.00  0.00           C  
HETATM   21  S   UNL     1       3.047  -2.250  -0.257  1.00  0.00           S  
HETATM   22  C   UNL     1       3.926  -1.883  -1.801  1.00  0.00           C  
HETATM   23  O   UNL     1       3.811  -1.827   0.865  1.00  0.00           O  
HETATM   24  O   UNL     1       2.475  -3.550  -0.305  1.00  0.00           O  
HETATM   25  C   UNL     1       0.381  -1.683  -0.344  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.709  -0.835  -0.350  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.580   0.118   1.765  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.355   1.403  -2.235  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.352  -0.741  -0.085  1.00  0.00           H  
HETATM   30  H   UNL     1       1.205   2.957  -1.133  1.00  0.00           H  
HETATM   31  H   UNL     1       0.632   3.057   0.559  1.00  0.00           H  
HETATM   32  H   UNL     1       3.609   1.074  -1.106  1.00  0.00           H  
HETATM   33  H   UNL     1       4.852   0.916   0.945  1.00  0.00           H  
HETATM   34  H   UNL     1       4.229  -0.836  -1.806  1.00  0.00           H  
HETATM   35  H   UNL     1       4.809  -2.517  -1.875  1.00  0.00           H  
HETATM   36  H   UNL     1       3.268  -2.075  -2.648  1.00  0.00           H  
HETATM   37  H   UNL     1       0.234  -2.752  -0.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.709  -1.240  -0.401  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    9    2                                       
CONECT    4    5    3    3   27                                       
CONECT    5   10    6    6    4                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7    3   29                                       
CONECT   10    5   11                                                 
CONECT   11   10   12   12   26                                       
CONECT   12   13   11   11   17                                       
CONECT   13   14   12   30   31                                       
CONECT   14   15   16   13   18                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   18   12   20   20                                       
CONECT   18   14   19   17   32                                       
CONECT   19   18   33                                                 
CONECT   20   17   17   25   21                                       
CONECT   21   24   24   20   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   34   35   36                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   26   26   20   37                                       
CONECT   26   11   25   25   38                                       
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   25                                                      
CONECT   38   26                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
