COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.886   5.252   1.193  1.00  0.00           C  
HETATM    2  O   UNL     1       3.504   3.915   0.863  1.00  0.00           O  
HETATM    3  C   UNL     1       3.597   3.611  -0.530  1.00  0.00           C  
HETATM    4  C   UNL     1       3.173   2.184  -0.761  1.00  0.00           C  
HETATM    5  N   UNL     1       2.782   1.337   0.126  1.00  0.00           N  
HETATM    6  N   UNL     1       2.425   0.053  -0.268  1.00  0.00           N  
HETATM    7  C   UNL     1       1.970  -1.133   0.292  1.00  0.00           C  
HETATM    8  C   UNL     1       1.692  -1.380   1.752  1.00  0.00           C  
HETATM    9  N   UNL     1       0.297  -1.043   2.047  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.820  -1.991   1.958  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.097  -1.122   1.922  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.509  -0.823   0.479  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.756   0.064   0.479  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.168   0.363  -0.964  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.415   1.250  -0.965  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.623   0.163   2.640  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.124   0.172   2.439  1.00  0.00           C  
HETATM   18  O   UNL     1       0.593   1.136   2.600  1.00  0.00           O  
HETATM   19  C   UNL     1       1.824  -2.020  -0.707  1.00  0.00           C  
HETATM   20  N   UNL     1       2.171  -1.424  -1.856  1.00  0.00           N  
HETATM   21  C   UNL     1       2.531  -0.188  -1.603  1.00  0.00           C  
HETATM   22  S   UNL     1       3.103   1.329  -2.312  1.00  0.00           S  
HETATM   23  C   UNL     1       1.350  -3.443  -0.560  1.00  0.00           C  
HETATM   24  F   UNL     1      -6.458   0.589  -0.309  1.00  0.00           F  
HETATM   25  F   UNL     1      -5.134   2.450  -0.302  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.792   1.524  -2.284  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.043  -3.486  -0.684  1.00  0.00           F  
HETATM   28  F   UNL     1       1.931  -4.234  -1.557  1.00  0.00           F  
HETATM   29  F   UNL     1       1.722  -3.931   0.697  1.00  0.00           F  
HETATM   30  H   UNL     1       3.788   5.404   2.268  1.00  0.00           H  
HETATM   31  H   UNL     1       4.922   5.418   0.896  1.00  0.00           H  
HETATM   32  H   UNL     1       3.240   5.955   0.666  1.00  0.00           H  
HETATM   33  H   UNL     1       2.945   4.279  -1.092  1.00  0.00           H  
HETATM   34  H   UNL     1       4.627   3.743  -0.862  1.00  0.00           H  
HETATM   35  H   UNL     1       1.869  -2.430   1.983  1.00  0.00           H  
HETATM   36  H   UNL     1       2.351  -0.758   2.358  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.741  -2.583   1.046  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.831  -2.644   2.831  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.911  -1.597   2.468  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.696  -0.308  -0.032  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.728  -1.758  -0.037  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.569  -0.452   0.989  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.537   0.999   0.995  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.355   0.879  -1.475  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.387  -0.571  -1.480  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.077   1.043   2.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.862   0.116   3.703  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1                                                 
CONECT    3    4    2   33   34                                       
CONECT    4   22    3    5    5                                       
CONECT    5    6    4    4                                            
CONECT    6   21    7    5                                            
CONECT    7   19   19    6    8                                       
CONECT    8    7    9   35   36                                       
CONECT    9   17   10    8                                            
CONECT   10   11    9   37   38                                       
CONECT   11   12   16   10   39                                       
CONECT   12   13   11   40   41                                       
CONECT   13   14   12   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   24   26   14   25                                       
CONECT   16   11   17   46   47                                       
CONECT   17   16   18   18    9                                       
CONECT   18   17   17                                                 
CONECT   19   20   23    7    7                                       
CONECT   20   21   21   19                                            
CONECT   21   20   20   22    6                                       
CONECT   22   21    4                                                 
CONECT   23   28   29   19   27                                       
CONECT   24   15                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
CONECT   27   23                                                      
CONECT   28   23                                                      
CONECT   29   23                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
