COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.547  -2.947  -1.681  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.570  -2.720  -0.880  1.00  0.00           C  
HETATM    3  C   UNL     1       0.620  -2.361  -1.504  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.455  -1.843   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1       0.818  -1.470  -0.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.244  -1.203   0.422  1.00  0.00           C  
HETATM    7  C   UNL     1       2.131  -0.817  -0.256  1.00  0.00           C  
HETATM    8  C   UNL     1       3.332  -1.430  -0.270  1.00  0.00           C  
HETATM    9  N   UNL     1       4.353  -0.624  -0.073  1.00  0.00           N  
HETATM   10  C   UNL     1       4.088   0.633   0.107  1.00  0.00           C  
HETATM   11  S   UNL     1       2.402   0.900   0.027  1.00  0.00           S  
HETATM   12  C   UNL     1       3.491  -2.912  -0.492  1.00  0.00           C  
HETATM   13  N   UNL     1       5.039   1.620   0.329  1.00  0.00           N  
HETATM   14  C   UNL     1       6.347   1.300   0.368  1.00  0.00           C  
HETATM   15  C   UNL     1       7.379   2.372   0.608  1.00  0.00           C  
HETATM   16  O   UNL     1       6.694   0.149   0.209  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.547  -1.610   1.040  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.781  -0.107   1.694  1.00  0.00           S  
HETATM   19  O   UNL     1      -3.974  -0.185   2.463  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.531   0.294   2.238  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.120   0.995   0.362  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.327   1.280  -0.136  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.927   1.922  -0.545  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.170   2.595  -1.508  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.318   2.138  -1.136  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.595   0.670   0.403  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.956   3.582  -2.626  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.746  -3.346  -1.106  1.00  0.00           F  
HETATM   29  H   UNL     1       1.433  -2.574  -2.183  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.124  -0.518   1.248  1.00  0.00           H  
HETATM   31  H   UNL     1       3.505  -3.120  -1.562  1.00  0.00           H  
HETATM   32  H   UNL     1       4.426  -3.249  -0.045  1.00  0.00           H  
HETATM   33  H   UNL     1       2.657  -3.441  -0.031  1.00  0.00           H  
HETATM   34  H   UNL     1       6.881   3.335   0.726  1.00  0.00           H  
HETATM   35  H   UNL     1       7.940   2.140   1.513  1.00  0.00           H  
HETATM   36  H   UNL     1       8.060   2.417  -0.242  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.166  -2.328   1.242  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.992   1.300   1.199  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.330   0.591  -0.399  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.381  -0.323   0.798  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.807   3.044  -3.563  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.829   4.228  -2.713  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.076   4.188  -2.412  1.00  0.00           H  
HETATM   44  H   UNL     1       4.761   2.541   0.455  1.00  0.00           H  
CONECT    1    2    2    3                                            
CONECT    2    1    1    4   28                                       
CONECT    3    1    5    5   29                                       
CONECT    4    2    6    6   17                                       
CONECT    5    3    3    6    7                                       
CONECT    6    4    4    5   30                                       
CONECT    7    5    8    8   11                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   13                                       
CONECT   11    7   10                                                 
CONECT   12    8   31   32   33                                       
CONECT   13   10   14   44                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   34   35   36                                       
CONECT   16   14   14                                                 
CONECT   17    4   18   37                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   22   23                                       
CONECT   22   21   21   25   26                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   25   27                                       
CONECT   25   22   24   24                                            
CONECT   26   22   38   39   40                                       
CONECT   27   24   41   42   43                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   13                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
