COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.673  -1.887  -0.143  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.235  -0.537  -0.517  1.00  0.00           C  
HETATM    3  C   UNL     1       2.891  -0.526  -0.440  1.00  0.00           C  
HETATM    4  C   UNL     1       2.070   0.457   0.167  1.00  0.00           C  
HETATM    5  C   UNL     1       3.160  -4.201  -0.373  1.00  0.00           C  
HETATM    6  C   UNL     1       3.904  -0.126  -1.326  1.00  0.00           C  
HETATM    7  C   UNL     1       4.085   1.197  -1.590  1.00  0.00           C  
HETATM    8  C   UNL     1       3.279   2.164  -0.993  1.00  0.00           C  
HETATM    9  C   UNL     1       2.287   1.814  -0.129  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.678   1.271  -0.211  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.388   0.203   0.310  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.828   2.015   0.614  1.00  0.00           N  
HETATM   13  C   UNL     1       1.676  -2.236   0.724  1.00  0.00           C  
HETATM   14  C   UNL     1       1.055   0.057   1.052  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.357  -0.199  -1.867  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.646   0.867  -2.378  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.810   1.605  -1.556  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.995  -1.678   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1       0.872  -1.266   1.318  1.00  0.00           C  
HETATM   20  F   UNL     1      -1.117   2.648  -2.063  1.00  0.00           F  
HETATM   21  O   UNL     1       3.444  -2.844  -0.719  1.00  0.00           O  
HETATM   22  O   UNL     1       0.893   2.244   2.368  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.926   0.545   2.594  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.884  -1.974   1.204  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.812  -2.391  -0.770  1.00  0.00           O  
HETATM   26  S   UNL     1       0.024   1.263   1.819  1.00  0.00           S  
HETATM   27  H   UNL     1       2.135  -4.441  -0.657  1.00  0.00           H  
HETATM   28  H   UNL     1       3.847  -4.862  -0.901  1.00  0.00           H  
HETATM   29  H   UNL     1       3.280  -4.335   0.702  1.00  0.00           H  
HETATM   30  H   UNL     1       4.537  -0.864  -1.796  1.00  0.00           H  
HETATM   31  H   UNL     1       4.865   1.502  -2.272  1.00  0.00           H  
HETATM   32  H   UNL     1       3.443   3.208  -1.219  1.00  0.00           H  
HETATM   33  H   UNL     1       1.669   2.574   0.326  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.288  -0.057   1.354  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.738   2.972   0.481  1.00  0.00           H  
HETATM   36  H   UNL     1       1.508  -3.278   0.951  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.008  -0.772  -2.511  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.742   1.127  -3.422  1.00  0.00           H  
HETATM   39  H   UNL     1       0.091  -1.568   1.999  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.288  -3.128  -0.365  1.00  0.00           H  
CONECT    1    3    3   21   13                                       
CONECT    2   11   11   15   18                                       
CONECT    3    6    4    1    1                                       
CONECT    4    9    3   14   14                                       
CONECT    5   21   27   28   29                                       
CONECT    6    7    7    3   30                                       
CONECT    7    8    6    6   31                                       
CONECT    8    7    9    9   32                                       
CONECT    9    8    8    4   33                                       
CONECT   10   12   17   17   11                                       
CONECT   11   10    2    2   34                                       
CONECT   12   26   10   35                                            
CONECT   13    1   19   19   36                                       
CONECT   14    4    4   26   19                                       
CONECT   15   16   16    2   37                                       
CONECT   16   17   15   15   38                                       
CONECT   17   20   10   10   16                                       
CONECT   18    2   24   24   25                                       
CONECT   19   14   13   13   39                                       
CONECT   20   17                                                      
CONECT   21    1    5                                                 
CONECT   22   26   26                                                 
CONECT   23   26   26                                                 
CONECT   24   18   18                                                 
CONECT   25   18   40                                                 
CONECT   26   22   22   14   12                                       
CONECT   26   23   23                                                 
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
