COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.922   1.223   0.358  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.483   0.851   0.148  1.00  0.00           N  
HETATM    3  C   UNL     1       2.790   0.081   0.377  1.00  0.00           C  
HETATM    4  C   UNL     1       3.527   1.252   0.470  1.00  0.00           C  
HETATM    5  C   UNL     1       5.108   0.672  -2.324  1.00  0.00           C  
HETATM    6  C   UNL     1       0.563  -1.061   0.400  1.00  0.00           C  
HETATM    7  C   UNL     1       1.177  -2.262   0.193  1.00  0.00           C  
HETATM    8  C   UNL     1       0.670  -4.775  -0.093  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.653  -2.025   0.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.091  -0.506   0.553  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.191   2.603   0.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.834  -0.941   0.530  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.963   0.199  -0.183  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.620  -0.702   0.292  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.366   1.021  -1.308  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.726   2.463  -1.678  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.042   2.758  -1.202  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.846   1.163   0.601  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.035  -1.880   0.589  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.062  -3.345   0.236  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.530  -4.613   0.110  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.495  -5.441  -0.085  1.00  0.00           O  
HETATM   23  C   UNL     1       0.408  -3.442   0.103  1.00  0.00           C  
HETATM   24  C   UNL     1       1.398   0.161   0.496  1.00  0.00           C  
HETATM   25  C   UNL     1       0.807   1.404   0.707  1.00  0.00           C  
HETATM   26  N   UNL     1       1.543   2.495   0.794  1.00  0.00           N  
HETATM   27  S   UNL     1       5.648   0.149  -0.673  1.00  0.00           S  
HETATM   28  O   UNL     1       7.038   0.387  -0.504  1.00  0.00           O  
HETATM   29  O   UNL     1       5.073  -1.105  -0.334  1.00  0.00           O  
HETATM   30  C   UNL     1       2.859   2.461   0.677  1.00  0.00           C  
HETATM   31  O   UNL     1       3.570   3.613   0.769  1.00  0.00           O  
HETATM   32  C   UNL     1       2.830   4.817   0.980  1.00  0.00           C  
HETATM   33  H   UNL     1       5.463   1.834   0.882  1.00  0.00           H  
HETATM   34  H   UNL     1       3.278  -0.869   0.213  1.00  0.00           H  
HETATM   35  H   UNL     1       5.435   1.695  -2.506  1.00  0.00           H  
HETATM   36  H   UNL     1       5.544   0.012  -3.074  1.00  0.00           H  
HETATM   37  H   UNL     1       4.021   0.622  -2.384  1.00  0.00           H  
HETATM   38  H   UNL     1       2.252  -2.310   0.099  1.00  0.00           H  
HETATM   39  H   UNL     1       1.647  -5.213  -0.230  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.294  -0.640   1.615  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.663  -1.235  -0.021  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.519   3.290   0.726  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.221   2.821   0.496  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.265   0.035   0.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.343   0.810  -1.618  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.048   0.335  -1.810  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.011   3.145  -1.219  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.696   2.578  -2.761  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.552   0.480   0.130  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.904   1.056   1.684  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.574  -2.626   0.893  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.568  -4.907   0.157  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.266   1.475   0.799  1.00  0.00           H  
HETATM   54  H   UNL     1       2.136   4.967   0.154  1.00  0.00           H  
HETATM   55  H   UNL     1       2.273   4.742   1.914  1.00  0.00           H  
HETATM   56  H   UNL     1       3.518   5.661   1.035  1.00  0.00           H  
CONECT    1   27    4   33                                            
CONECT    2   15   18   10                                            
CONECT    3    4    4   24   34                                       
CONECT    4    1    3    3   30                                       
CONECT    5   27   35   36   37                                       
CONECT    6   24   12    7    7                                       
CONECT    7    6    6   23   38                                       
CONECT    8   23   23   22   39                                       
CONECT    9   12   12   19   20                                       
CONECT   10    2   14   40   41                                       
CONECT   11   17   18   42   43                                       
CONECT   12    6    9    9   44                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   10   19                                       
CONECT   15   16    2   45   46                                       
CONECT   16   17   15   47   48                                       
CONECT   17   16   11                                                 
CONECT   18   11    2   49   50                                       
CONECT   19   14    9   51                                            
CONECT   20    9   23   21   21                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21    8                                                 
CONECT   23    7   20    8    8                                       
CONECT   24    3    6   25   25                                       
CONECT   25   24   24   26   53                                       
CONECT   26   30   30   25                                            
CONECT   27   28   28   29   29                                       
CONECT   27    1    5                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    4   31   26   26                                       
CONECT   31   32   30                                                 
CONECT   32   31   54   55   56                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
