COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.239   0.311  -0.288  1.00  0.00           C  
HETATM    2  C   UNL     1       3.186  -0.602  -0.712  1.00  0.00           C  
HETATM    3  C   UNL     1       4.530  -0.295  -0.630  1.00  0.00           C  
HETATM    4  C   UNL     1       4.931   0.930  -0.122  1.00  0.00           C  
HETATM    5  C   UNL     1       3.984   1.846   0.303  1.00  0.00           C  
HETATM    6  C   UNL     1       2.638   1.536   0.220  1.00  0.00           C  
HETATM    7  F   UNL     1       1.712   2.429   0.634  1.00  0.00           F  
HETATM    8  C   UNL     1       0.103   1.018  -1.288  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.308   0.790  -1.304  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.934   0.906  -0.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.344  -0.138   0.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.416   0.676  -0.168  1.00  0.00           C  
HETATM   13  F   UNL     1       6.246   1.230  -0.041  1.00  0.00           F  
HETATM   14  C   UNL     1       0.773  -0.023  -0.384  1.00  0.00           C  
HETATM   15  C   UNL     1       0.172   0.062   1.014  1.00  0.00           C  
HETATM   16  C   UNL     1       0.780  -1.029   1.902  1.00  0.00           C  
HETATM   17  S   UNL     1       0.150  -2.631   1.334  1.00  0.00           S  
HETATM   18  C   UNL     1       0.426  -2.458  -0.394  1.00  0.00           C  
HETATM   19  N   UNL     1       0.647  -1.342  -0.963  1.00  0.00           N  
HETATM   20  N   UNL     1       0.389  -3.592  -1.173  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.025  -0.283  -0.984  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.321  -0.178  -0.840  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.578   0.852   0.074  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.393   1.356   0.476  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.900   1.297   0.521  1.00  0.00           C  
HETATM   26  H   UNL     1       2.874  -1.558  -1.108  1.00  0.00           H  
HETATM   27  H   UNL     1       5.269  -1.010  -0.961  1.00  0.00           H  
HETATM   28  H   UNL     1       4.296   2.801   0.698  1.00  0.00           H  
HETATM   29  H   UNL     1       0.498   0.929  -2.300  1.00  0.00           H  
HETATM   30  H   UNL     1       0.307   2.017  -0.904  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.758   1.905   0.376  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.784  -0.017   1.918  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.559  -1.138   0.552  1.00  0.00           H  
HETATM   34  H   UNL     1       0.386   1.041   1.443  1.00  0.00           H  
HETATM   35  H   UNL     1       1.866  -1.009   1.817  1.00  0.00           H  
HETATM   36  H   UNL     1       0.488  -0.865   2.939  1.00  0.00           H  
HETATM   37  H   UNL     1       0.215  -4.455  -0.765  1.00  0.00           H  
HETATM   38  H   UNL     1       0.538  -3.529  -2.129  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.513  -0.987  -1.623  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.250   2.163   1.179  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.259   2.089  -0.136  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.596   0.458   0.490  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.831   1.674   1.541  1.00  0.00           H  
CONECT    1   14    6    6    2                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4   27                                       
CONECT    4    5    5    3   13                                       
CONECT    5    6    4    4   28                                       
CONECT    6    7    1    1    5                                       
CONECT    7    6                                                      
CONECT    8    9   14   29   30                                       
CONECT    9   10    8                                                 
CONECT   10   12   11    9   31                                       
CONECT   11   10   15   32   33                                       
CONECT   12   24   24   21   10                                       
CONECT   13    4                                                      
CONECT   14   15    8    1   19                                       
CONECT   15   11   16   14   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   14   18   18                                            
CONECT   20   18   37   38                                            
CONECT   21   22   22   12   39                                       
CONECT   22   23   21   21                                            
CONECT   23   25   24   22                                            
CONECT   24   23   12   12   40                                       
CONECT   25   23   41   42   43                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
