COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.462   2.515   0.178  1.00  0.00           N  
HETATM    2  C   UNL     1       4.404  -2.777  -0.435  1.00  0.00           C  
HETATM    3  O   UNL     1       0.833   4.184   0.986  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.269  -2.398  -0.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.799  -2.741   1.231  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.577  -2.265   1.676  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.818  -1.437   0.857  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.296  -1.089  -0.420  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.522  -1.580  -0.854  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.511  -0.916   1.317  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.873   0.188   0.573  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.352   0.534  -0.709  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.486  -0.209  -1.291  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.806   0.888   1.125  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.214   1.921   0.419  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.676   2.267  -0.840  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.749   1.575  -1.413  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.752  -0.099  -2.472  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.970  -1.392   2.296  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.200   1.915  -2.646  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.085   3.282  -1.521  1.00  0.00           O  
HETATM   22  S   UNL     1       1.137   2.803   1.128  1.00  0.00           S  
HETATM   23  O   UNL     1       1.401   2.191   2.383  1.00  0.00           O  
HETATM   24  C   UNL     1       2.944   1.213   0.027  1.00  0.00           C  
HETATM   25  C   UNL     1       3.090   0.392   1.138  1.00  0.00           C  
HETATM   26  C   UNL     1       3.562  -0.897   0.985  1.00  0.00           C  
HETATM   27  C   UNL     1       3.888  -1.370  -0.272  1.00  0.00           C  
HETATM   28  C   UNL     1       3.744  -0.556  -1.380  1.00  0.00           C  
HETATM   29  C   UNL     1       3.273   0.734  -1.234  1.00  0.00           C  
HETATM   30  F   UNL     1       5.267  -2.833  -1.535  1.00  0.00           F  
HETATM   31  F   UNL     1       5.094  -3.158   0.720  1.00  0.00           F  
HETATM   32  F   UNL     1       3.327  -3.647  -0.644  1.00  0.00           F  
HETATM   33  H   UNL     1       2.901   3.251  -0.277  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.223  -2.776  -0.360  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.388  -3.384   1.867  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.216  -2.535   2.657  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.895  -1.317  -1.833  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.439   0.626   2.107  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.896   2.587  -2.639  1.00  0.00           H  
HETATM   40  H   UNL     1       0.598   2.994  -2.142  1.00  0.00           H  
HETATM   41  H   UNL     1       2.836   0.761   2.121  1.00  0.00           H  
HETATM   42  H   UNL     1       3.676  -1.536   1.849  1.00  0.00           H  
HETATM   43  H   UNL     1       4.000  -0.929  -2.361  1.00  0.00           H  
HETATM   44  H   UNL     1       3.156   1.368  -2.101  1.00  0.00           H  
CONECT    1   24   22   33                                            
CONECT    2   31   30   32   27                                       
CONECT    3   22   22                                                 
CONECT    4    5    5    9   34                                       
CONECT    5    6    4    4   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7   10    6    6    8                                       
CONECT    8    7   13    9    9                                       
CONECT    9    8    8    4   37                                       
CONECT   10   19   19   11    7                                       
CONECT   11   14   10   12   12                                       
CONECT   12   11   11   17   13                                       
CONECT   13   12    8   18   18                                       
CONECT   14   15   15   11   38                                       
CONECT   15   22   14   14   16                                       
CONECT   16   15   21   17   17                                       
CONECT   17   16   16   12   20                                       
CONECT   18   13   13                                                 
CONECT   19   10   10                                                 
CONECT   20   17   39                                                 
CONECT   21   16   40                                                 
CONECT   22    1   23   23   15                                       
CONECT   22    3    3                                                 
CONECT   23   22   22                                                 
CONECT   24   25   25   29    1                                       
CONECT   25   26   24   24   41                                       
CONECT   26   27   27   25   42                                       
CONECT   27    2   26   26   28                                       
CONECT   28   27   29   29   43                                       
CONECT   29   28   28   24   44                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   14                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
