COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.802   4.814  -0.008  1.00  0.00           C  
HETATM    2  C   UNL     1       2.609  -3.092   1.150  1.00  0.00           C  
HETATM    3  C   UNL     1       3.418  -4.275   1.452  1.00  0.00           C  
HETATM    4  C   UNL     1       4.416  -4.622   0.624  1.00  0.00           C  
HETATM    5  C   UNL     1       4.019  -2.811  -0.864  1.00  0.00           C  
HETATM    6  C   UNL     1       2.909  -2.355  -0.019  1.00  0.00           C  
HETATM    7  C   UNL     1       2.155  -1.228  -0.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.063  -0.470  -0.887  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.139   0.268  -0.430  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.345  -0.356  -0.171  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.476  -1.717  -0.370  1.00  0.00           C  
HETATM   12  C   UNL     1       3.684   3.962   0.266  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.401  -2.456  -0.828  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.196  -1.831  -1.093  1.00  0.00           C  
HETATM   15  C   UNL     1       2.720   2.111   1.454  1.00  0.00           C  
HETATM   16  C   UNL     1       3.801   2.927   1.195  1.00  0.00           C  
HETATM   17  C   UNL     1       2.469   4.167  -0.392  1.00  0.00           C  
HETATM   18  C   UNL     1       1.394   3.346  -0.119  1.00  0.00           C  
HETATM   19  C   UNL     1       1.518   2.322   0.803  1.00  0.00           C  
HETATM   20  C   UNL     1       0.339   1.430   1.095  1.00  0.00           C  
HETATM   21  C   UNL     1       1.119  -0.846   0.497  1.00  0.00           C  
HETATM   22  C   UNL     1       0.829  -1.579   1.648  1.00  0.00           C  
HETATM   23  C   UNL     1       1.559  -2.686   1.975  1.00  0.00           C  
HETATM   24  N   UNL     1       5.689   5.490  -0.225  1.00  0.00           N  
HETATM   25  N   UNL     1       0.357   0.283   0.184  1.00  0.00           N  
HETATM   26  N   UNL     1       4.713  -3.909  -0.503  1.00  0.00           N  
HETATM   27  O   UNL     1       4.311  -2.205  -1.879  1.00  0.00           O  
HETATM   28  O   UNL     1       0.161  -0.500  -2.148  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.825   1.692  -1.462  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.203   1.472   1.396  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.421   1.025  -0.740  1.00  0.00           O  
HETATM   32  S   UNL     1      -0.526   0.324  -1.216  1.00  0.00           S  
HETATM   33  S   UNL     1      -5.716   0.585   0.412  1.00  0.00           S  
HETATM   34  H   UNL     1       3.213  -4.863   2.335  1.00  0.00           H  
HETATM   35  H   UNL     1       5.005  -5.496   0.858  1.00  0.00           H  
HETATM   36  H   UNL     1       2.376  -0.658  -1.229  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.036   1.331  -0.274  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.418  -2.205  -0.168  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.504  -3.519  -0.988  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.356  -2.408  -1.450  1.00  0.00           H  
HETATM   41  H   UNL     1       2.810   1.309   2.172  1.00  0.00           H  
HETATM   42  H   UNL     1       4.737   2.766   1.710  1.00  0.00           H  
HETATM   43  H   UNL     1       2.371   4.966  -1.112  1.00  0.00           H  
HETATM   44  H   UNL     1       0.452   3.506  -0.623  1.00  0.00           H  
HETATM   45  H   UNL     1       0.397   1.077   2.125  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.585   1.991   0.956  1.00  0.00           H  
HETATM   47  H   UNL     1       0.018  -1.266   2.289  1.00  0.00           H  
HETATM   48  H   UNL     1       1.325  -3.245   2.869  1.00  0.00           H  
HETATM   49  F   UNL     1      -6.697  -0.432   1.184  1.00  0.00           F  
HETATM   50  H   UNL     1       5.446  -4.206  -1.065  1.00  0.00           H  
CONECT    1   12   24   24   24                                       
CONECT    2    3   23   23    6                                       
CONECT    3    4    4    2   34                                       
CONECT    4    3    3   26   35                                       
CONECT    5   26    6   27   27                                       
CONECT    6    2    5    7    7                                       
CONECT    7    6    6   21   36                                       
CONECT    8   14   32    9    9                                       
CONECT    9    8    8   10   37                                       
CONECT   10   11   11    9   33                                       
CONECT   11   13   10   10   38                                       
CONECT   12   17   17   16    1                                       
CONECT   13   14   14   11   39                                       
CONECT   14   13   13    8   40                                       
CONECT   15   19   16   16   41                                       
CONECT   16   15   15   12   42                                       
CONECT   17   18   12   12   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   20   18   18   15                                       
CONECT   20   25   19   45   46                                       
CONECT   21   22   22    7   25                                       
CONECT   22   23   21   21   47                                       
CONECT   23    2    2   22   48                                       
CONECT   24    1    1    1                                            
CONECT   25   32   21   20                                            
CONECT   26    4    5   50                                            
CONECT   27    5    5                                                 
CONECT   28   32   32                                                 
CONECT   29   32   32                                                 
CONECT   30   33   33                                                 
CONECT   31   33   33                                                 
CONECT   32   28   28    8   29                                       
CONECT   32   29   25                                                 
CONECT   33   10   31   31   30                                       
CONECT   33   30   49                                                 
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   33                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
