COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.549   3.561   0.473  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.933   4.078   1.681  1.00  0.00           S  
HETATM    3  O   UNL     1      -2.133   5.288   1.633  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.163   4.318   2.851  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.412   3.620   2.867  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.725   2.780   2.029  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.319   4.025   4.014  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.539   4.684   3.454  1.00  0.00           N1+
HETATM    9  C   UNL     1      -6.769   2.800   4.810  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.623   2.092   5.512  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.447   2.431   5.427  1.00  0.00           O  
HETATM   12  N   UNL     1      -6.052   1.007   6.247  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.017   2.892   2.335  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.881   2.428   1.621  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.199   1.333   2.429  1.00  0.00           C  
HETATM   16  C   UNL     1       1.032   0.761   1.734  1.00  0.00           C  
HETATM   17  O   UNL     1       1.918   0.238   2.725  1.00  0.00           O  
HETATM   18  C   UNL     1       0.447  -0.380   0.926  1.00  0.00           C  
HETATM   19  O   UNL     1       1.399  -1.370   0.596  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.616  -0.910   1.877  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.128   0.236   2.584  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.713  -1.611   1.213  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.815  -2.957   0.996  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.937  -3.909   1.343  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.384  -5.125   0.960  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.532  -5.444   0.316  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.373  -4.431  -0.004  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.580  -4.698  -0.672  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.023  -3.129   0.339  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.651  -1.923   0.154  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.841  -1.034   0.689  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.991   5.011   3.591  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.838   4.786   4.636  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.347   4.503   4.053  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.739   4.323   2.519  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.400   5.694   3.391  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.227   2.057   4.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.520   3.076   5.561  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.040   0.776   6.269  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.394   0.435   6.766  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.208   2.042   0.651  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.199   3.269   1.460  1.00  0.00           H  
HETATM   43  H   UNL     1       0.033   1.713   3.429  1.00  0.00           H  
HETATM   44  H   UNL     1       1.592   1.484   1.136  1.00  0.00           H  
HETATM   45  H   UNL     1       2.816   0.439   2.422  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.005   0.000   0.002  1.00  0.00           H  
HETATM   47  H   UNL     1       1.770  -1.705   1.432  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.213  -1.625   2.603  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.735  -5.961   1.201  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.584  -4.775  -1.671  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.437  -4.714  -0.152  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.013   0.033   0.727  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   13                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   32                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9   33                                       
CONECT    8    7   34   35   36                                       
CONECT    9    7   10   37   38                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   39   40                                            
CONECT   13    2   14                                                 
CONECT   14   13   15   41   42                                       
CONECT   15   14   16   21   43                                       
CONECT   16   15   17   18   44                                       
CONECT   17   16   45                                                 
CONECT   18   16   19   20   46                                       
CONECT   19   18   47                                                 
CONECT   20   18   21   22   48                                       
CONECT   21   15   20                                                 
CONECT   22   20   23   31                                            
CONECT   23   22   24   29   29                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   29                                       
CONECT   28   27   50   51                                            
CONECT   29   23   23   27   30                                       
CONECT   30   29   31   31                                            
CONECT   31   22   30   30   52                                       
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
