COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.902  -0.746  -0.275  1.00  0.00           C  
HETATM    2  C   UNL     1       0.155  -2.181   1.786  1.00  0.00           C  
HETATM    3  C   UNL     1       3.734  -0.586   0.463  1.00  0.00           C  
HETATM    4  C   UNL     1       3.514   0.595   1.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.486  -0.612  -0.505  1.00  0.00           C  
HETATM    6  C   UNL     1       1.159  -1.122   1.418  1.00  0.00           C  
HETATM    7  C   UNL     1       0.475  -0.091   0.546  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.592  -1.391   0.214  1.00  0.00           C  
HETATM    9  C   UNL     1       5.839   0.269  -0.311  1.00  0.00           C  
HETATM   10  C   UNL     1       4.455   1.605   1.121  1.00  0.00           C  
HETATM   11  C   UNL     1       5.615   1.443   0.386  1.00  0.00           C  
HETATM   12  S   UNL     1       2.536  -1.877   0.511  1.00  0.00           S  
HETATM   13  O   UNL     1       0.685   1.091   0.680  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.032  -2.304   1.198  1.00  0.00           N  
HETATM   15  O   UNL     1       0.446  -2.967   2.662  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.381  -2.178  -0.800  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.001  -3.377  -0.493  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.659  -3.945  -1.505  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.511  -2.941  -2.941  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.540  -1.770  -2.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.511  -0.419   0.907  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.524  -0.896   1.714  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.368   0.005   2.351  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.161   1.358   2.150  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.121   1.768   1.324  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.334   0.878   0.739  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.901   3.125   1.114  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.936   3.543   0.191  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.697   2.793  -0.953  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.745   3.208  -1.863  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.028   4.371  -1.635  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.265   5.121  -0.495  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.220   4.712   0.415  1.00  0.00           C  
HETATM   34  F   UNL     1       0.904   4.775  -2.526  1.00  0.00           F  
HETATM   35 CL   UNL     1       5.185  -2.221  -1.145  1.00  0.00          Cl  
HETATM   36  H   UNL     1       2.608   0.723   1.735  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.921   0.226  -1.049  1.00  0.00           H  
HETATM   38  H   UNL     1       0.037  -1.270  -1.198  1.00  0.00           H  
HETATM   39  H   UNL     1       1.535  -0.644   2.323  1.00  0.00           H  
HETATM   40  H   UNL     1       6.746   0.147  -0.884  1.00  0.00           H  
HETATM   41  H   UNL     1       4.285   2.523   1.665  1.00  0.00           H  
HETATM   42  H   UNL     1       6.349   2.235   0.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.572  -3.070   1.448  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.955  -3.820   0.491  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.199  -4.878  -1.451  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.132  -0.860  -2.475  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.659  -1.959   1.850  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.168  -0.343   2.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.799   2.086   2.629  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.417   3.782   1.607  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.256   1.886  -1.131  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.558   2.625  -2.753  1.00  0.00           H  
HETATM   53  H   UNL     1       0.295   6.027  -0.319  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.405   5.297   1.304  1.00  0.00           H  
CONECT    1    9   35    3    3                                       
CONECT    2    6   14   15   15                                       
CONECT    3    1    1    4   12                                       
CONECT    4   10   10    3   36                                       
CONECT    5    7    8   37   38                                       
CONECT    6   12    7    2   39                                       
CONECT    7   13   13    6    5                                       
CONECT    8    5   16   14   21                                       
CONECT    9   11   11    1   40                                       
CONECT   10   11    4    4   41                                       
CONECT   11    9    9   10   42                                       
CONECT   12    3    6                                                 
CONECT   13    7    7                                                 
CONECT   14    8    2   43                                            
CONECT   15    2    2                                                 
CONECT   16   17    8   20   20                                       
CONECT   17   18   18   16   44                                       
CONECT   18   17   17   19   45                                       
CONECT   19   18   20                                                 
CONECT   20   19   16   16   46                                       
CONECT   21    8   26   26   22                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   24   48                                       
CONECT   24   25   25   23   49                                       
CONECT   25   26   27   24   24                                       
CONECT   26   21   21   25                                            
CONECT   27   28   25   50                                            
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   51                                       
CONECT   30   31   31   29   52                                       
CONECT   31   34   30   30   32                                       
CONECT   32   31   33   33   53                                       
CONECT   33   32   32   28   54                                       
CONECT   34   31                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
