COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.073   1.849   1.724  1.00  0.00           O  
HETATM    2  C   UNL     1       5.986   1.669   0.813  1.00  0.00           C  
HETATM    3  C   UNL     1       4.803   2.600   1.174  1.00  0.00           C  
HETATM    4  O   UNL     1       4.899   3.026   2.535  1.00  0.00           O  
HETATM    5  C   UNL     1       5.354   0.263   0.977  1.00  0.00           C  
HETATM    6  N   UNL     1       6.069  -0.721   0.160  1.00  0.00           N  
HETATM    7  C   UNL     1       5.729  -1.126  -1.096  1.00  0.00           C  
HETATM    8  N   UNL     1       6.582  -2.011  -1.524  1.00  0.00           N  
HETATM    9  C   UNL     1       7.521  -2.229  -0.572  1.00  0.00           C  
HETATM   10  C   UNL     1       8.656  -3.051  -0.474  1.00  0.00           C  
HETATM   11  N   UNL     1       9.373  -3.010   0.644  1.00  0.00           N  
HETATM   12  C   UNL     1       9.035  -2.218   1.645  1.00  0.00           C  
HETATM   13  N   UNL     1       9.019  -3.885  -1.518  1.00  0.00           N  
HETATM   14  C   UNL     1       7.206  -1.400   0.518  1.00  0.00           C  
HETATM   15  N   UNL     1       7.980  -1.431   1.598  1.00  0.00           N  
HETATM   16  O   UNL     1       4.005   0.442   0.494  1.00  0.00           O  
HETATM   17  C   UNL     1       3.554   1.720   0.972  1.00  0.00           C  
HETATM   18  C   UNL     1       2.626   2.363  -0.060  1.00  0.00           C  
HETATM   19  O   UNL     1       1.420   1.603  -0.156  1.00  0.00           O  
HETATM   20  P   UNL     1       0.214   1.992  -1.149  1.00  0.00           P  
HETATM   21  O   UNL     1      -0.228   3.447  -0.877  1.00  0.00           O  
HETATM   22  O   UNL     1       0.691   1.864  -2.613  1.00  0.00           O1-
HETATM   23  O   UNL     1      -1.028   0.999  -0.900  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.584   1.028  -1.313  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.129   2.467  -1.168  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.736   0.565  -2.780  1.00  0.00           O1-
HETATM   27  O   UNL     1      -3.414   0.040  -0.350  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.838  -0.076  -0.396  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.299  -1.097   0.647  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.800  -1.220   0.599  1.00  0.00           C  
HETATM   31  S   UNL     1      -7.903  -0.283   1.512  1.00  0.00           S  
HETATM   32  C   UNL     1      -9.254  -1.142   0.778  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.674  -0.900   1.062  1.00  0.00           C  
HETATM   34  O   UNL     1     -10.999  -0.040   1.870  1.00  0.00           O1-
HETATM   35  O   UNL     1     -11.533  -1.559   0.491  1.00  0.00           O  
HETATM   36  N   UNL     1      -8.787  -2.028  -0.061  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.488  -2.080  -0.173  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.802  -3.045  -1.105  1.00  0.00           C  
HETATM   39  H   UNL     1       7.443   2.743   1.723  1.00  0.00           H  
HETATM   40  H   UNL     1       6.310   1.834  -0.214  1.00  0.00           H  
HETATM   41  H   UNL     1       4.777   3.461   0.507  1.00  0.00           H  
HETATM   42  H   UNL     1       5.697   3.536   2.732  1.00  0.00           H  
HETATM   43  H   UNL     1       5.353  -0.037   2.025  1.00  0.00           H  
HETATM   44  H   UNL     1       4.877  -0.766  -1.654  1.00  0.00           H  
HETATM   45  H   UNL     1       9.646  -2.216   2.535  1.00  0.00           H  
HETATM   46  H   UNL     1       8.487  -3.907  -2.329  1.00  0.00           H  
HETATM   47  H   UNL     1       9.805  -4.448  -1.438  1.00  0.00           H  
HETATM   48  H   UNL     1       3.030   1.597   1.920  1.00  0.00           H  
HETATM   49  H   UNL     1       2.390   3.382   0.248  1.00  0.00           H  
HETATM   50  H   UNL     1       3.121   2.384  -1.031  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.289   0.892  -0.181  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.143  -0.407  -1.388  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.848  -2.065   0.432  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.993  -0.766   1.639  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.603  -3.979  -0.579  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.445  -3.242  -1.963  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.862  -2.614  -1.447  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3    5   40                                       
CONECT    3    2    4   17   41                                       
CONECT    4    3   42                                                 
CONECT    5    2    6   16   43                                       
CONECT    6    5    7   14                                            
CONECT    7    6    8    8   44                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10   12                                            
CONECT   12   11   15   15   45                                       
CONECT   13   10   46   47                                            
CONECT   14    6    9    9   15                                       
CONECT   15   12   12   14                                            
CONECT   16    5   17                                                 
CONECT   17    3   16   18   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   22                                       
CONECT   20   23                                                      
CONECT   21   20   20                                                 
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29   51   52                                       
CONECT   29   28   30   53   54                                       
CONECT   30   29   31   37   37                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   36   36                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33                                                 
CONECT   36   32   32   37                                            
CONECT   37   30   30   36   38                                       
CONECT   38   37   55   56   57                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   38                                                      
CONECT   56   38                                                      
CONECT   57   38                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
