COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.683   2.751   0.575  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.609   2.099   1.166  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.330   2.626   1.048  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.534  -1.015  -0.385  1.00  0.00           C  
HETATM    5  C   UNL     1       1.174  -1.867  -0.287  1.00  0.00           C  
HETATM    6  C   UNL     1       3.276  -1.227  -1.240  1.00  0.00           C  
HETATM    7  C   UNL     1       1.787  -2.082   0.933  1.00  0.00           C  
HETATM    8  C   UNL     1       5.872  -0.252  -0.584  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.593  -1.635  -0.157  1.00  0.00           C  
HETATM   10  O   UNL     1       7.959   0.878  -1.231  1.00  0.00           O  
HETATM   11  C   UNL     1       7.356  -0.097  -0.526  1.00  0.00           C  
HETATM   12  O   UNL     1       8.018  -0.849   0.157  1.00  0.00           O  
HETATM   13  O   UNL     1       5.209   0.501  -1.267  1.00  0.00           O  
HETATM   14  N   UNL     1       5.268  -1.228   0.123  1.00  0.00           N  
HETATM   15  C   UNL     1       3.895  -1.442  -0.015  1.00  0.00           C  
HETATM   16  C   UNL     1       1.918  -1.439  -1.372  1.00  0.00           C  
HETATM   17  C   UNL     1       3.145  -1.871   1.073  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.307  -2.103  -0.437  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.065  -0.813  -0.117  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.822  -0.387   1.629  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.354  -1.401   2.469  1.00  0.00           O  
HETATM   22  O   UNL     1       0.487   0.127   1.839  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.816   0.914   1.879  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.476   3.918  -0.133  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.200   4.442  -0.250  1.00  0.00           C  
HETATM   26  F   UNL     1      -1.000   5.584  -0.942  1.00  0.00           F  
HETATM   27  C   UNL     1      -0.128   3.797   0.344  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.182  -0.575  -1.476  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.478  -0.943  -1.372  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.594  -0.772  -2.177  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.812  -1.282  -1.780  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.930  -1.967  -0.579  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.833  -2.146   0.232  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.353  -1.643   0.403  1.00  0.00           N  
HETATM   35  H   UNL     1      -3.679   2.343   0.665  1.00  0.00           H  
HETATM   36  H   UNL     1       0.507   2.120   1.508  1.00  0.00           H  
HETATM   37  H   UNL     1       3.856  -0.893  -2.088  1.00  0.00           H  
HETATM   38  H   UNL     1       1.203  -2.415   1.779  1.00  0.00           H  
HETATM   39  H   UNL     1       8.922   0.939  -1.162  1.00  0.00           H  
HETATM   40  H   UNL     1       5.787  -1.781   0.727  1.00  0.00           H  
HETATM   41  H   UNL     1       1.436  -1.273  -2.324  1.00  0.00           H  
HETATM   42  H   UNL     1       3.622  -2.039   2.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.524  -2.408  -1.461  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.620  -2.889   0.250  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.688  -0.006  -0.745  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.541   0.854   2.520  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.311   4.423  -0.598  1.00  0.00           H  
HETATM   48  H   UNL     1       0.867   4.207   0.253  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.510  -0.240  -3.113  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.680  -1.148  -2.408  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.890  -2.361  -0.278  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.930  -2.679   1.166  1.00  0.00           H  
CONECT    1    2    2   24   35                                       
CONECT    2    3   23    1    1                                       
CONECT    3   27   27    2   36                                       
CONECT    4   19   28   34   34                                       
CONECT    5   18   16   16    7                                       
CONECT    6   16   15   15   37                                       
CONECT    7    5   17   17   38                                       
CONECT    8   14   11   13   13                                       
CONECT    9   34   29   29   33                                       
CONECT   10   11   39                                                 
CONECT   11    8   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13    8    8                                                 
CONECT   14   15    8   40                                            
CONECT   15    6    6   17   14                                       
CONECT   16    5    5    6   41                                       
CONECT   17    7    7   15   42                                       
CONECT   18   19    5   43   44                                       
CONECT   19   20   18    4   45                                       
CONECT   20   21   21   23   22                                       
CONECT   20   22   19                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    2   20   46                                            
CONECT   24   25   25    1   47                                       
CONECT   25   27   26   24   24                                       
CONECT   26   25                                                      
CONECT   27    3    3   25   48                                       
CONECT   28    4   29                                                 
CONECT   29   28    9    9   30                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   33   33   31   51                                       
CONECT   33    9   32   32   52                                       
CONECT   34    4    4    9                                            
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
