COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.314  -2.021  -0.703  1.00  0.00           C  
HETATM    2  C   UNL     1       5.878  -3.272  -0.313  1.00  0.00           C  
HETATM    3  C   UNL     1       4.743  -3.398   0.467  1.00  0.00           C  
HETATM    4  C   UNL     1       4.041  -2.273   0.857  1.00  0.00           C  
HETATM    5  C   UNL     1       4.477  -1.018   0.475  1.00  0.00           C  
HETATM    6  C   UNL     1       5.613  -0.890  -0.312  1.00  0.00           C  
HETATM    7  O   UNL     1       6.040   0.342  -0.694  1.00  0.00           O  
HETATM    8  C   UNL     1       3.713   0.208   0.901  1.00  0.00           C  
HETATM    9  N   UNL     1       2.863   0.665  -0.207  1.00  0.00           N  
HETATM   10  C   UNL     1       2.149   1.856   0.272  1.00  0.00           C  
HETATM   11  C   UNL     1       1.757   2.730  -0.922  1.00  0.00           C  
HETATM   12  C   UNL     1       1.043   3.988  -0.416  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.086   3.582   0.432  1.00  0.00           N  
HETATM   14  C   UNL     1       0.166   2.670   1.555  1.00  0.00           C  
HETATM   15  C   UNL     1       0.890   1.426   1.028  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.614   4.144   0.127  1.00  0.00           S  
HETATM   17  N   UNL     1      -2.337   3.074  -0.910  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.319   4.028   1.355  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.443   5.344  -0.613  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.598   1.766  -0.494  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.306   0.700  -1.333  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.562  -0.597  -0.915  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.118  -0.825   0.336  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.413   0.239   1.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.155   1.532   0.757  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.272  -1.644  -1.731  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.514  -2.776  -1.019  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.751  -3.400  -1.105  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.995  -4.551  -0.381  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.007  -5.082   0.431  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.772  -4.461   0.518  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.523  -3.313  -0.209  1.00  0.00           C  
HETATM   33  F   UNL     1      -3.248  -6.207   1.139  1.00  0.00           F  
HETATM   34  H   UNL     1       7.201  -1.924  -1.312  1.00  0.00           H  
HETATM   35  H   UNL     1       6.424  -4.153  -0.617  1.00  0.00           H  
HETATM   36  H   UNL     1       4.403  -4.377   0.770  1.00  0.00           H  
HETATM   37  H   UNL     1       3.155  -2.373   1.466  1.00  0.00           H  
HETATM   38  H   UNL     1       5.609   0.538  -1.537  1.00  0.00           H  
HETATM   39  H   UNL     1       3.088  -0.034   1.762  1.00  0.00           H  
HETATM   40  H   UNL     1       4.414   0.998   1.171  1.00  0.00           H  
HETATM   41  H   UNL     1       3.484   0.974  -0.939  1.00  0.00           H  
HETATM   42  H   UNL     1       2.797   2.424   0.940  1.00  0.00           H  
HETATM   43  H   UNL     1       2.653   3.016  -1.473  1.00  0.00           H  
HETATM   44  H   UNL     1       1.089   2.171  -1.577  1.00  0.00           H  
HETATM   45  H   UNL     1       1.738   4.593   0.165  1.00  0.00           H  
HETATM   46  H   UNL     1       0.675   4.564  -1.265  1.00  0.00           H  
HETATM   47  H   UNL     1       0.790   3.168   2.298  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.781   2.377   2.008  1.00  0.00           H  
HETATM   49  H   UNL     1       0.230   0.880   0.354  1.00  0.00           H  
HETATM   50  H   UNL     1       1.168   0.785   1.864  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.579   3.356  -1.806  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.873   0.879  -2.306  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.320  -1.835   0.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.846   0.058   2.141  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.386   2.361   1.409  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.522  -2.986  -1.737  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.957  -5.036  -0.448  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.003  -4.876   1.151  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.560  -2.829  -0.142  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   38                                                 
CONECT    8    5    9   39   40                                       
CONECT    9    8   10   41                                            
CONECT   10    9   11   15   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   16                                            
CONECT   14   13   15   47   48                                       
CONECT   15   10   14   49   50                                       
CONECT   16   13   17   18   18                                       
CONECT   16   19   19                                                 
CONECT   17   16   20   51                                            
CONECT   18   16   16                                                 
CONECT   19   16   16                                                 
CONECT   20   17   21   21   25                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   53                                       
CONECT   24   23   25   25   54                                       
CONECT   25   20   24   24   55                                       
CONECT   26   22   27                                                 
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   56                                       
CONECT   29   28   30   30   57                                       
CONECT   30   29   29   31   33                                       
CONECT   31   30   32   32   58                                       
CONECT   32   27   31   31   59                                       
CONECT   33   30                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
