COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.248  -2.887  -0.207  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.008  -4.060   0.645  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.369  -1.726   0.264  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.609  -0.557  -0.585  1.00  0.00           N  
HETATM    5  S   UNL     1      -7.090   0.939  -0.099  1.00  0.00           S  
HETATM    6  O   UNL     1      -7.438   1.842  -1.140  1.00  0.00           O  
HETATM    7  O   UNL     1      -7.524   1.098   1.244  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.329   0.890  -0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.682   0.508   1.111  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.304   0.468   1.154  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.563   0.812   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.220   1.196  -1.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.599   1.228  -1.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.080   0.771   0.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.424   0.382   1.232  1.00  0.00           C  
HETATM   16  C   UNL     1       0.956   0.345   1.265  1.00  0.00           C  
HETATM   17  C   UNL     1       1.686   0.693   0.143  1.00  0.00           C  
HETATM   18  C   UNL     1       1.039   1.080  -1.017  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.340   1.115  -1.062  1.00  0.00           C  
HETATM   20  C   UNL     1       3.192   0.651   0.184  1.00  0.00           C  
HETATM   21  S   UNL     1       3.764  -0.989  -0.323  1.00  0.00           S  
HETATM   22  C   UNL     1       5.506  -0.762  -0.186  1.00  0.00           C  
HETATM   23  N   UNL     1       5.978   0.404   0.207  1.00  0.00           N  
HETATM   24  C   UNL     1       7.288   0.623   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1       8.171  -0.376   0.036  1.00  0.00           C  
HETATM   26  C   UNL     1       7.676  -1.624  -0.384  1.00  0.00           C  
HETATM   27  N   UNL     1       6.341  -1.796  -0.483  1.00  0.00           N  
HETATM   28  O   UNL     1       8.441  -2.537  -0.650  1.00  0.00           O  
HETATM   29  C   UNL     1       9.589   0.105   0.243  1.00  0.00           C  
HETATM   30  C   UNL     1       9.490   1.645   0.277  1.00  0.00           C  
HETATM   31  C   UNL     1       8.039   1.866   0.754  1.00  0.00           C  
HETATM   32  H   UNL     1      -8.003  -3.132  -1.240  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.297  -2.599  -0.140  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.577  -4.840   0.354  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.030  -4.308   0.651  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.614  -1.481   1.298  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.320  -2.015   0.198  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.071  -0.659  -1.432  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.258   0.242   1.985  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.800   0.170   2.062  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.651   1.464  -2.020  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.109   1.521  -2.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.993   0.110   2.109  1.00  0.00           H  
HETATM   44  H   UNL     1       1.466   0.044   2.168  1.00  0.00           H  
HETATM   45  H   UNL     1       1.614   1.352  -1.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.844   1.413  -1.970  1.00  0.00           H  
HETATM   47  H   UNL     1       3.595   1.403  -0.494  1.00  0.00           H  
HETATM   48  H   UNL     1       3.533   0.857   1.199  1.00  0.00           H  
HETATM   49  H   UNL     1       9.982  -0.270   1.188  1.00  0.00           H  
HETATM   50  H   UNL     1      10.201   2.065   0.989  1.00  0.00           H  
HETATM   51  H   UNL     1       7.613   2.749   0.276  1.00  0.00           H  
HETATM   52  H   UNL     1       5.979  -2.648  -0.770  1.00  0.00           H  
HETATM   53  H   UNL     1      10.222  -0.216  -0.585  1.00  0.00           H  
HETATM   54  H   UNL     1       9.640   2.066  -0.717  1.00  0.00           H  
HETATM   55  H   UNL     1       8.009   1.972   1.839  1.00  0.00           H  
CONECT    1    3    2   32   33                                       
CONECT    2    1   34   35                                            
CONECT    3    4    1   36   37                                       
CONECT    4    5    3   38                                            
CONECT    5    6    6    7    7                                       
CONECT    5    4    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9    9   13                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   14   12                                       
CONECT   12   13   13   11   41                                       
CONECT   13    8   12   12   42                                       
CONECT   14   11   15   15   19                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18   20                                       
CONECT   18   19   19   17   45                                       
CONECT   19   14   18   18   46                                       
CONECT   20   21   17   47   48                                       
CONECT   21   22   20                                                 
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   25   25   23   31                                       
CONECT   25   26   29   24   24                                       
CONECT   26   28   28   27   25                                       
CONECT   27   26   22   52                                            
CONECT   28   26   26                                                 
CONECT   29   25   30   49   53                                       
CONECT   30   29   31   50   54                                       
CONECT   31   24   30   51   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
