COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.791   1.895   1.413  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.372   3.011   0.522  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.915   4.069   1.506  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.175   3.315   2.760  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.033   2.371   2.862  1.00  0.00           C  
HETATM    6  N   UNL     1       0.647   1.736   1.162  1.00  0.00           N  
HETATM    7  C   UNL     1       1.096   0.380   1.503  1.00  0.00           C  
HETATM    8  C   UNL     1       2.573   0.256   1.232  1.00  0.00           C  
HETATM    9  C   UNL     1       3.486   0.558   2.226  1.00  0.00           C  
HETATM   10  C   UNL     1       4.841   0.444   1.977  1.00  0.00           C  
HETATM   11  C   UNL     1       5.283   0.028   0.735  1.00  0.00           C  
HETATM   12  C   UNL     1       4.370  -0.275  -0.258  1.00  0.00           C  
HETATM   13  C   UNL     1       3.015  -0.166  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.167   0.250   2.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.017  -1.074   2.384  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.231  -2.079   1.459  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.067  -3.521   1.863  1.00  0.00           C  
HETATM   18  F   UNL     1      -4.288  -4.015   2.334  1.00  0.00           F  
HETATM   19  F   UNL     1      -2.656  -4.272   0.756  1.00  0.00           F  
HETATM   20  F   UNL     1      -2.105  -3.616   2.874  1.00  0.00           F  
HETATM   21  N   UNL     1      -2.457   2.486  -0.310  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.694   2.010   0.314  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.531   0.568   0.718  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.594  -1.761   0.164  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.744  -0.437  -0.207  1.00  0.00           C  
HETATM   26  C   UNL     1       0.745  -2.596  -3.255  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.285   2.429  -1.956  1.00  0.00           S  
HETATM   28  O   UNL     1      -3.591   2.260  -2.491  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.435   3.512  -2.309  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.396   0.956  -2.338  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.083  -0.184  -2.715  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.394  -1.341  -3.015  1.00  0.00           C  
HETATM   33  C   UNL     1       0.687  -0.204  -2.561  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.015   0.946  -2.263  1.00  0.00           C  
HETATM   35  N   UNL     1       2.090  -2.611  -3.178  1.00  0.00           N  
HETATM   36  O   UNL     1       0.144  -3.599  -3.586  1.00  0.00           O  
HETATM   37  C   UNL     1       6.760  -0.095   0.464  1.00  0.00           C  
HETATM   38  F   UNL     1       7.188  -1.387   0.790  1.00  0.00           F  
HETATM   39  F   UNL     1       7.008   0.149  -0.891  1.00  0.00           F  
HETATM   40  F   UNL     1       7.456   0.837   1.241  1.00  0.00           F  
HETATM   41  C   UNL     1      -0.001  -1.360  -2.936  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.314   0.955   1.232  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.589   3.442  -0.103  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.171   4.846   1.678  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.839   4.504   1.125  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.205   3.935   3.555  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.292   1.528   3.501  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.150   2.883   3.246  1.00  0.00           H  
HETATM   49  H   UNL     1       0.874   1.962   0.205  1.00  0.00           H  
HETATM   50  H   UNL     1       0.903   0.188   2.559  1.00  0.00           H  
HETATM   51  H   UNL     1       0.553  -0.346   0.897  1.00  0.00           H  
HETATM   52  H   UNL     1       3.140   0.883   3.196  1.00  0.00           H  
HETATM   53  H   UNL     1       5.554   0.681   2.753  1.00  0.00           H  
HETATM   54  H   UNL     1       4.716  -0.601  -1.228  1.00  0.00           H  
HETATM   55  H   UNL     1       2.302  -0.406  -0.782  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.005   1.035   2.737  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.733  -1.322   3.396  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.911   2.613   1.196  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.516   2.098  -0.397  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.761  -2.546  -0.559  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.027  -0.189  -1.219  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.161  -0.169  -2.776  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.931  -2.231  -3.309  1.00  0.00           H  
HETATM   64  H   UNL     1       1.765  -0.211  -2.502  1.00  0.00           H  
HETATM   65  H   UNL     1       0.515   1.840  -1.972  1.00  0.00           H  
HETATM   66  H   UNL     1       2.579  -3.422  -3.388  1.00  0.00           H  
HETATM   67  H   UNL     1       2.570  -1.810  -2.914  1.00  0.00           H  
CONECT    1    2    5    6   42                                       
CONECT    2    1    3   21   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5   46                                            
CONECT    5    1    4   47   48                                       
CONECT    6    1    7   49                                            
CONECT    7    6    8   50   51                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   52                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   13   54                                       
CONECT   13    8   12   12   55                                       
CONECT   14   15   15   23   56                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   24   24                                       
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21    2   22   27                                            
CONECT   22   21   23   58   59                                       
CONECT   23   14   22   25   25                                       
CONECT   24   16   16   25   60                                       
CONECT   25   23   23   24   61                                       
CONECT   26   35   36   36   41                                       
CONECT   27   21   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   31   34                                       
CONECT   31   30   30   32   62                                       
CONECT   32   31   41   41   63                                       
CONECT   33   34   34   41   64                                       
CONECT   34   30   33   33   65                                       
CONECT   35   26   66   67                                            
CONECT   36   26   26                                                 
CONECT   37   11   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41   26   32   32   33                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
