COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.679   3.332  -1.066  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.385   2.886  -1.224  1.00  0.00           C  
HETATM    3  C   UNL     1       3.328   3.292   1.901  1.00  0.00           C  
HETATM    4  C   UNL     1       2.438   4.006   1.121  1.00  0.00           C  
HETATM    5  C   UNL     1       2.962   1.351   0.540  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.075   0.693  -0.478  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.438  -0.611  -0.258  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.672   2.477  -0.621  1.00  0.00           C  
HETATM    9  C   UNL     1       2.077   2.067  -0.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068   1.561  -0.929  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.396   1.152  -0.333  1.00  0.00           C  
HETATM   12  C   UNL     1       3.593   1.965   1.609  1.00  0.00           C  
HETATM   13  C   UNL     1       1.811   3.394   0.048  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.099  -0.452  -0.582  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.253  -3.905  -0.215  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.641  -2.745  -0.696  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.312  -4.141   1.118  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.093  -1.847   0.212  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.174  -2.139   1.598  1.00  0.00           C  
HETATM   20  C   UNL     1       0.923  -1.497  -0.512  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.148   2.695  -0.345  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.506   1.441   0.487  1.00  0.00           C  
HETATM   23  C   UNL     1       2.939  -3.355  -2.227  1.00  0.00           C  
HETATM   24  C   UNL     1       1.401   1.403  -1.414  1.00  0.00           C  
HETATM   25  N   UNL     1       0.111   0.854  -0.987  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.780  -3.269   2.010  1.00  0.00           N  
HETATM   27  N   UNL     1       2.219  -1.185  -0.708  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.700  -1.366   2.414  1.00  0.00           O  
HETATM   29  O   UNL     1       0.602  -2.648  -0.278  1.00  0.00           O  
HETATM   30  O   UNL     1       3.124  -3.139   0.426  1.00  0.00           O  
HETATM   31  O   UNL     1       4.587  -1.692  -0.946  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.516   0.488   0.061  1.00  0.00           O  
HETATM   33  F   UNL     1       4.467   1.269   2.368  1.00  0.00           F  
HETATM   34  F   UNL     1       0.941   4.092  -0.714  1.00  0.00           F  
HETATM   35  S   UNL     1       3.361  -2.384  -0.754  1.00  0.00           S  
HETATM   36  H   UNL     1      -2.920   4.361  -1.288  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.618   3.561  -1.574  1.00  0.00           H  
HETATM   38  H   UNL     1       3.819   3.771   2.734  1.00  0.00           H  
HETATM   39  H   UNL     1       2.230   5.041   1.348  1.00  0.00           H  
HETATM   40  H   UNL     1       3.169   0.316   0.313  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.684  -4.614  -0.908  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.594  -2.549  -1.757  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.793  -5.039   1.477  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.306   3.605   0.234  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.718   2.722  -1.274  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.414   1.645   1.553  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.510   1.091   0.247  1.00  0.00           H  
HETATM   48  H   UNL     1       1.932  -3.756  -2.121  1.00  0.00           H  
HETATM   49  H   UNL     1       2.985  -2.715  -3.108  1.00  0.00           H  
HETATM   50  H   UNL     1       3.648  -4.175  -2.336  1.00  0.00           H  
HETATM   51  H   UNL     1       1.239   2.136  -2.204  1.00  0.00           H  
HETATM   52  H   UNL     1       2.032   0.597  -1.790  1.00  0.00           H  
HETATM   53  H   UNL     1       2.484  -0.259  -0.822  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.832  -3.463   2.959  1.00  0.00           H  
CONECT    1    2    8    8   36                                       
CONECT    2   10   10    1   37                                       
CONECT    3    4   12   12   38                                       
CONECT    4   13   13    3   39                                       
CONECT    5    9    9   12   40                                       
CONECT    6    7   10   11   11                                       
CONECT    7   14   14   18    6                                       
CONECT    8    1    1   11   21                                       
CONECT    9   13   24    5    5                                       
CONECT   10   25    2    2    6                                       
CONECT   11    6    6    8   32                                       
CONECT   12    3    3    5   33                                       
CONECT   13   34    4    4    9                                       
CONECT   14   20   25    7    7                                       
CONECT   15   17   17   16   41                                       
CONECT   16   18   18   15   42                                       
CONECT   17   26   15   15   43                                       
CONECT   18   19    7   16   16                                       
CONECT   19   28   28   26   18                                       
CONECT   20   27   29   29   14                                       
CONECT   21    8   22   44   45                                       
CONECT   22   32   21   46   47                                       
CONECT   23   35   48   49   50                                       
CONECT   24    9   25   51   52                                       
CONECT   25   24   14   10                                            
CONECT   26   19   17   54                                            
CONECT   27   35   20   53                                            
CONECT   28   19   19                                                 
CONECT   29   20   20                                                 
CONECT   30   35   35                                                 
CONECT   31   35   35                                                 
CONECT   32   11   22                                                 
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   30   30   31   31                                       
CONECT   35   23   27                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
