COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.045  -0.687  -2.317  1.00  0.00           C  
HETATM    2  C   UNL     1       3.833  -0.669  -0.802  1.00  0.00           C  
HETATM    3  C   UNL     1       6.037  -0.668   0.090  1.00  0.00           C  
HETATM    4  C   UNL     1       6.161   0.638  -0.362  1.00  0.00           C  
HETATM    5  C   UNL     1       7.316   1.351  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1       8.347   0.764   0.609  1.00  0.00           C  
HETATM    7  C   UNL     1       9.605   1.544   0.891  1.00  0.00           C  
HETATM    8  C   UNL     1       8.225  -0.537   1.061  1.00  0.00           C  
HETATM    9  C   UNL     1       7.071  -1.252   0.808  1.00  0.00           C  
HETATM   10  C   UNL     1       2.524  -1.339  -0.470  1.00  0.00           C  
HETATM   11  C   UNL     1       1.337  -0.611  -0.515  1.00  0.00           C  
HETATM   12  CA  UNL     1      -0.301   0.931  -0.714  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.968   2.212  -0.962  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.930  -0.243  -0.340  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.379  -0.440  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.274  -0.312  -1.182  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.626  -0.498  -0.969  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.093  -0.811   0.298  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.570  -1.006   0.526  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.069   0.117   1.184  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.210  -0.938   1.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.857  -0.761   1.153  1.00  0.00           C  
HETATM   23  C   UNL     1       0.125  -1.255  -0.207  1.00  0.00           C  
HETATM   24  C   UNL     1       0.123  -2.609   0.138  1.00  0.00           C  
HETATM   25  C   UNL     1       1.299  -3.302   0.175  1.00  0.00           C  
HETATM   26  C   UNL     1       2.498  -2.672  -0.127  1.00  0.00           C  
HETATM   27  F   UNL     1      -5.494  -0.374  -1.997  1.00  0.00           F  
HETATM   28  N   UNL     1       9.461   2.260   2.165  1.00  0.00           N  
HETATM   29  N   UNL     1       1.056   0.701  -0.816  1.00  0.00           N  
HETATM   30  O   UNL     1       4.902  -1.371  -0.164  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.175   2.302  -0.842  1.00  0.00           O  
HETATM   32  OXT UNL     1      -0.243   3.291  -1.323  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.810   1.007   2.212  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.236   1.451  -0.161  1.00  0.00           O  
HETATM   35  S   UNL     1      -7.331   0.582   0.960  1.00  0.00           S  
HETATM   36  H   UNL     1       3.230  -0.152  -2.804  1.00  0.00           H  
HETATM   37  H   UNL     1       4.992  -0.203  -2.557  1.00  0.00           H  
HETATM   38  H   UNL     1       4.064  -1.718  -2.670  1.00  0.00           H  
HETATM   39  H   UNL     1       3.814   0.362  -0.449  1.00  0.00           H  
HETATM   40  H   UNL     1       5.357   1.096  -0.918  1.00  0.00           H  
HETATM   41  H   UNL     1       7.413   2.367  -0.454  1.00  0.00           H  
HETATM   42  H   UNL     1      10.451   0.860   0.952  1.00  0.00           H  
HETATM   43  H   UNL     1       9.775   2.262   0.088  1.00  0.00           H  
HETATM   44  H   UNL     1       9.031  -0.992   1.616  1.00  0.00           H  
HETATM   45  H   UNL     1       6.975  -2.267   1.165  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.910  -0.068  -2.169  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.030  -1.393  -0.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.721  -1.716   1.339  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.650   0.999   1.453  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.456  -0.303   0.255  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.147  -0.626   1.978  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.581  -1.182   2.339  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.169  -0.861   1.979  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.807  -3.106   0.375  1.00  0.00           H  
HETATM   55  H   UNL     1       1.296  -4.349   0.442  1.00  0.00           H  
HETATM   56  H   UNL     1       3.420  -3.234  -0.099  1.00  0.00           H  
HETATM   57  H   UNL     1      10.292   2.791   2.378  1.00  0.00           H  
HETATM   58  H   UNL     1       8.645   2.854   2.157  1.00  0.00           H  
HETATM   59  H   UNL     1       1.715   1.368  -1.064  1.00  0.00           H  
HETATM   60  HXT UNL     1      -0.770   4.089  -1.464  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2   10    1   30   39                                       
CONECT    3    4   30    9    9                                       
CONECT    4    5    5    3   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   28   42   43                                       
CONECT    8    6    6    9   44                                       
CONECT    9    3    3    8   45                                       
CONECT   10   11   11   26    2                                       
CONECT   11   23   29   10   10                                       
CONECT   12   13   14   14   29                                       
CONECT   13   31   31   12   32                                       
CONECT   14   15   12   12   23                                       
CONECT   15   22   22   16   14                                       
CONECT   16   17   17   15   46                                       
CONECT   17   18   27   16   16                                       
CONECT   18   19   21   21   17                                       
CONECT   19   35   18   47   48                                       
CONECT   20   35   49   50   51                                       
CONECT   21   18   18   22   52                                       
CONECT   22   21   15   15   53                                       
CONECT   23   14   24   24   11                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   26   55                                       
CONECT   26   25   25   10   56                                       
CONECT   27   17                                                      
CONECT   28    7   57   58                                            
CONECT   29   12   11   59                                            
CONECT   30    2    3                                                 
CONECT   31   13   13                                                 
CONECT   32   13   60                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35   34   34   33   33                                       
CONECT   35   20   19                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
