COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       6.043   1.264   0.697  1.00  0.00           F  
HETATM    2  C   UNL     1       5.078   2.183   0.271  1.00  0.00           C  
HETATM    3  F   UNL     1       4.107   2.335   1.266  1.00  0.00           F  
HETATM    4  F   UNL     1       5.688   3.417   0.021  1.00  0.00           F  
HETATM    5  C   UNL     1       4.418   1.671  -1.011  1.00  0.00           C  
HETATM    6  C   UNL     1       3.762   0.341  -0.742  1.00  0.00           C  
HETATM    7  S   UNL     1       4.559  -1.210  -0.926  1.00  0.00           S  
HETATM    8  C   UNL     1       2.516   0.197  -0.333  1.00  0.00           C  
HETATM    9  C   UNL     1       2.097  -1.178  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       3.118  -2.085  -0.427  1.00  0.00           C  
HETATM   11  N   UNL     1       2.884  -3.396  -0.290  1.00  0.00           N  
HETATM   12  C   UNL     1       1.716  -3.837   0.114  1.00  0.00           C  
HETATM   13  N   UNL     1       0.718  -3.020   0.405  1.00  0.00           N  
HETATM   14  C   UNL     1       0.852  -1.707   0.296  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.201  -0.865   0.603  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.379  -1.631   1.031  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.457  -0.665   1.534  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.520   0.014  -0.529  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.563   1.048  -0.091  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.713   0.336   0.486  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.994   0.598   0.058  1.00  0.00           C  
HETATM   22  S   UNL     1      -5.451  -0.191   0.674  1.00  0.00           S  
HETATM   23  C   UNL     1      -6.613   0.718  -0.396  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.367  -0.245  -1.314  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.593   1.537   0.446  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.694   1.639  -1.213  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.307   1.456  -0.845  1.00  0.00           N  
HETATM   28  H   UNL     1       3.666   2.387  -1.344  1.00  0.00           H  
HETATM   29  H   UNL     1       5.175   1.552  -1.787  1.00  0.00           H  
HETATM   30  H   UNL     1       1.859   1.036  -0.160  1.00  0.00           H  
HETATM   31  H   UNL     1       1.564  -4.902   0.213  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.768  -2.203   0.189  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.098  -2.312   1.835  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.374  -1.216   1.745  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.111  -0.169   2.441  1.00  0.00           H  
HETATM   36  H   UNL     1       0.384   0.527  -0.857  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.920  -0.580  -1.350  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.129   1.711   0.658  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.888   1.629  -0.954  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.949  -0.943  -0.711  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.037   0.320  -1.962  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.654  -0.800  -1.924  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.038   2.236   1.073  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.262   2.092  -0.212  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.178   0.868   1.077  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.817   1.417  -2.273  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.973   2.676  -1.031  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    4    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6   28   29                                       
CONECT    6    8    8    7    5                                       
CONECT    7   10    6                                                 
CONECT    8    9    6    6   30                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11    7                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   31                                       
CONECT   13   14   14   12                                            
CONECT   14   15   13   13    9                                       
CONECT   15   18   14   16                                            
CONECT   16   15   17   32   33                                       
CONECT   17   20   16   34   35                                       
CONECT   18   19   15   36   37                                       
CONECT   19   18   20   38   39                                       
CONECT   20   19   21   17                                            
CONECT   21   27   27   20   22                                       
CONECT   22   21   23                                                 
CONECT   23   26   25   22   24                                       
CONECT   24   23   40   41   42                                       
CONECT   25   23   43   44   45                                       
CONECT   26   27   23   46   47                                       
CONECT   27   26   21   21                                            
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
