COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.078   3.059  -0.004  1.00  0.00           N  
HETATM    2  O   UNL     1      -3.134   4.002  -0.002  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.362   1.691  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.674   1.257   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.954  -0.103   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.389  -0.566   0.006  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.632  -1.337  -1.135  1.00  0.00           F  
HETATM    8  F   UNL     1      -5.628  -1.336   1.150  1.00  0.00           F  
HETATM    9  F   UNL     1      -6.237   0.547   0.007  1.00  0.00           F  
HETATM   10  C   UNL     1      -2.954  -1.023   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.597  -0.616  -0.002  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.498  -1.372  -0.004  1.00  0.00           N1+
HETATM   13  O   UNL     1      -0.586  -2.785  -0.003  1.00  0.00           O1-
HETATM   14  C   UNL     1       0.649  -0.779  -0.006  1.00  0.00           C  
HETATM   15  S   UNL     1       0.432   0.966  -0.007  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.317   0.757  -0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       1.953  -1.466  -0.007  1.00  0.00           C  
HETATM   18  O   UNL     1       2.000  -2.681  -0.006  1.00  0.00           O  
HETATM   19  N   UNL     1       3.094  -0.747  -0.010  1.00  0.00           N  
HETATM   20  C   UNL     1       4.390  -1.430  -0.012  1.00  0.00           C  
HETATM   21  C   UNL     1       5.496  -0.407  -0.015  1.00  0.00           C  
HETATM   22  C   UNL     1       6.006   0.072  -1.212  1.00  0.00           C  
HETATM   23  C   UNL     1       7.023   1.012  -1.167  1.00  0.00           C  
HETATM   24  C   UNL     1       7.493   1.438   0.062  1.00  0.00           C  
HETATM   25  C   UNL     1       6.012   0.069   1.175  1.00  0.00           C  
HETATM   26  N   UNL     1       6.984   0.960   1.180  1.00  0.00           N  
HETATM   27  H   UNL     1      -1.156   3.363  -0.010  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.839   4.923  -0.004  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.480   1.975   0.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.195  -2.076   0.003  1.00  0.00           H  
HETATM   31  H   UNL     1       3.056   0.222  -0.012  1.00  0.00           H  
HETATM   32  H   UNL     1       4.473  -2.053   0.879  1.00  0.00           H  
HETATM   33  H   UNL     1       4.470  -2.056  -0.901  1.00  0.00           H  
HETATM   34  H   UNL     1       5.620  -0.280  -2.157  1.00  0.00           H  
HETATM   35  H   UNL     1       7.444   1.407  -2.080  1.00  0.00           H  
HETATM   36  H   UNL     1       8.285   2.171   0.105  1.00  0.00           H  
HETATM   37  H   UNL     1       5.618  -0.296   2.112  1.00  0.00           H  
CONECT    1    2    3   27                                            
CONECT    2    1   28                                                 
CONECT    3    1   16   16    4                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4   10    6                                       
CONECT    6    5    8    9    7                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    6                                                      
CONECT   10   11   11    5   30                                       
CONECT   11   16   12   10   10                                       
CONECT   12   14   14   11   13                                       
CONECT   13   12                                                      
CONECT   14   15   17   12   12                                       
CONECT   15   16   14                                                 
CONECT   16   15    3    3   11                                       
CONECT   17   19   18   18   14                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   31                                            
CONECT   20   21   19   32   33                                       
CONECT   21   22   20   25   25                                       
CONECT   22   23   23   21   34                                       
CONECT   23   22   22   24   35                                       
CONECT   24   23   26   26   36                                       
CONECT   25   21   21   26   37                                       
CONECT   26   24   24   25                                            
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30   10                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   22                                                      
CONECT   35   23                                                      
CONECT   36   24                                                      
CONECT   37   25                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
