COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.636  -0.390   1.742  1.00  0.00           O  
HETATM    2  C   UNL     1       5.933  -1.035   0.927  1.00  0.00           C  
HETATM    3  C   UNL     1       4.752  -1.561   0.107  1.00  0.00           C  
HETATM    4  N   UNL     1       0.024   2.677   0.061  1.00  0.00           N  
HETATM    5  C   UNL     1       1.665   0.302   0.739  1.00  0.00           C  
HETATM    6  C   UNL     1       0.382   0.297   1.479  1.00  0.00           C  
HETATM    7  C   UNL     1       6.300  -2.739  -1.332  1.00  0.00           C  
HETATM    8  O   UNL     1       7.018  -1.963   0.839  1.00  0.00           O  
HETATM    9  N   UNL     1       2.554  -0.672   0.825  1.00  0.00           N  
HETATM   10  C   UNL     1       7.465  -2.201  -0.498  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.715  -0.757   2.016  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.514  -0.760   1.318  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.752  -1.093  -0.551  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.072   0.080  -0.833  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.808   0.429  -2.146  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.222  -0.394  -3.176  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.901  -1.567  -2.895  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.166  -1.916  -1.581  1.00  0.00           C  
HETATM   19  C   UNL     1       2.043   1.317  -0.107  1.00  0.00           C  
HETATM   20  C   UNL     1       1.264   2.531  -0.411  1.00  0.00           C  
HETATM   21  C   UNL     1       1.813   3.550  -1.201  1.00  0.00           C  
HETATM   22  C   UNL     1       1.044   4.669  -1.459  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.675   3.766  -0.213  1.00  0.00           C  
HETATM   24  C   UNL     1       3.634  -0.551   0.131  1.00  0.00           C  
HETATM   25  C   UNL     1       0.069   1.345   2.345  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.127   1.339   3.034  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.019   0.295   2.870  1.00  0.00           C  
HETATM   28  F   UNL     1      -0.216  -1.781   0.486  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.306  -2.371  -3.902  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.668   0.884   0.175  1.00  0.00           F  
HETATM   31  N   UNL     1      -2.621  -1.810   1.853  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.179   4.745  -0.956  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.959   3.887   0.291  1.00  0.00           N  
HETATM   34  N   UNL     1       5.185  -1.782  -1.280  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.746  -2.797   1.076  1.00  0.00           O  
HETATM   36  S   UNL     1      -4.082  -1.541   1.121  1.00  0.00           S  
HETATM   37  S   UNL     1       3.626   0.906  -0.761  1.00  0.00           S  
HETATM   38  H   UNL     1       6.248  -0.069   0.533  1.00  0.00           H  
HETATM   39  H   UNL     1       5.633  -0.923   1.968  1.00  0.00           H  
HETATM   40  H   UNL     1       4.402  -2.501   0.534  1.00  0.00           H  
HETATM   41  H   UNL     1       6.621  -2.868  -2.366  1.00  0.00           H  
HETATM   42  H   UNL     1       5.975  -3.698  -0.929  1.00  0.00           H  
HETATM   43  H   UNL     1       8.273  -2.934  -0.487  1.00  0.00           H  
HETATM   44  H   UNL     1       7.825  -1.269  -0.934  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.279   1.344  -2.365  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.017  -0.121  -4.201  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.696  -2.831  -1.362  1.00  0.00           H  
HETATM   48  H   UNL     1       2.814   3.464  -1.598  1.00  0.00           H  
HETATM   49  H   UNL     1       1.437   5.473  -2.063  1.00  0.00           H  
HETATM   50  H   UNL     1       0.763   2.163   2.476  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.367   2.152   3.703  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.953   0.295   3.412  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.394  -2.699   2.170  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.361   3.149   0.776  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.456   4.710   0.160  1.00  0.00           H  
HETATM   56  H   UNL     1       5.435  -0.911  -1.724  1.00  0.00           H  
CONECT    1   36   36                                                 
CONECT    2    8    3   38   39                                       
CONECT    3   34    2   24   40                                       
CONECT    4   20   20   23                                            
CONECT    5    9    6   19   19                                       
CONECT    6    5   12   12   25                                       
CONECT    7   10   34   41   42                                       
CONECT    8   10    2                                                 
CONECT    9   24   24    5                                            
CONECT   10    7    8   43   44                                       
CONECT   11   12   31   27   27                                       
CONECT   12   28    6    6   11                                       
CONECT   13   36   18   18   14                                       
CONECT   14   13   30   15   15                                       
CONECT   15   14   14   16   45                                       
CONECT   16   17   17   15   46                                       
CONECT   17   18   29   16   16                                       
CONECT   18   13   13   17   47                                       
CONECT   19   37    5    5   20                                       
CONECT   20   19    4    4   21                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   32   49                                       
CONECT   23    4   33   32   32                                       
CONECT   24    3    9    9   37                                       
CONECT   25    6   26   26   50                                       
CONECT   26   25   25   27   51                                       
CONECT   27   11   11   26   52                                       
CONECT   28   12                                                      
CONECT   29   17                                                      
CONECT   30   14                                                      
CONECT   31   11   36   53                                            
CONECT   32   23   23   22                                            
CONECT   33   23   54   55                                            
CONECT   34    7    3   56                                            
CONECT   35   36   36                                                 
CONECT   36   35   35    1    1                                       
CONECT   36   31   13                                                 
CONECT   37   24   19                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
