COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.717   2.902   1.532  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.514   1.182   0.992  1.00  0.00           S1+
HETATM    3  C   UNL     1      -4.199   0.700   0.522  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.225  -0.789   0.174  1.00  0.00           C  
HETATM    5  CA  UNL     1      -5.613  -1.167  -0.347  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.605  -2.603  -0.804  1.00  0.00           C  
HETATM    7  OXT UNL     1      -5.104  -2.920  -2.009  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.049  -3.468  -0.087  1.00  0.00           O  
HETATM    9  N   UNL     1      -6.601  -1.002   0.729  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.676   1.352  -0.608  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.220   1.761  -0.380  1.00  0.00           C  
HETATM   12  C   UNL     1       0.490   1.996  -1.731  1.00  0.00           C  
HETATM   13  C   UNL     1       1.920   1.455  -1.503  1.00  0.00           C  
HETATM   14  C   UNL     1       1.904   0.958  -0.041  1.00  0.00           C  
HETATM   15  O   UNL     1       0.513   0.684   0.243  1.00  0.00           O  
HETATM   16  N   UNL     1       2.702  -0.263   0.091  1.00  0.00           N  
HETATM   17  C   UNL     1       2.234  -1.543   0.042  1.00  0.00           C  
HETATM   18  N   UNL     1       3.216  -2.382   0.195  1.00  0.00           N  
HETATM   19  C   UNL     1       4.374  -1.697   0.351  1.00  0.00           C  
HETATM   20  C   UNL     1       4.059  -0.330   0.281  1.00  0.00           C  
HETATM   21  N   UNL     1       5.035   0.565   0.401  1.00  0.00           N  
HETATM   22  C   UNL     1       6.281   0.179   0.580  1.00  0.00           C  
HETATM   23  N   UNL     1       6.626  -1.094   0.649  1.00  0.00           N  
HETATM   24  C   UNL     1       5.718  -2.059   0.548  1.00  0.00           C  
HETATM   25  N   UNL     1       6.089  -3.390   0.623  1.00  0.00           N  
HETATM   26  O   UNL     1       2.883   2.498  -1.667  1.00  0.00           O  
HETATM   27  O   UNL     1       0.526   3.390  -2.043  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.581   2.942   2.794  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.739   3.333   1.747  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.201   3.476   0.741  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.877   0.891   1.354  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.514   1.282  -0.345  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.480  -0.996  -0.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.999  -1.375   1.065  1.00  0.00           H  
HETATM   35  HA  UNL     1      -5.876  -0.520  -1.184  1.00  0.00           H  
HETATM   36  HXT UNL     1      -5.120  -3.854  -2.259  1.00  0.00           H  
HETATM   37  H1  UNL     1      -6.379  -1.591   1.517  1.00  0.00           H  
HETATM   38  H2  UNL     1      -6.672  -0.035   1.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.708   0.400  -1.137  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.180   2.115  -1.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.171   2.659   0.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.008   1.441  -2.526  1.00  0.00           H  
HETATM   43  H   UNL     1       2.128   0.631  -2.185  1.00  0.00           H  
HETATM   44  H   UNL     1       2.282   1.732   0.627  1.00  0.00           H  
HETATM   45  H   UNL     1       1.199  -1.818  -0.102  1.00  0.00           H  
HETATM   46  H   UNL     1       7.049   0.932   0.673  1.00  0.00           H  
HETATM   47  H   UNL     1       7.021  -3.628   0.750  1.00  0.00           H  
HETATM   48  H   UNL     1       5.417  -4.086   0.547  1.00  0.00           H  
HETATM   49  H   UNL     1       2.935   2.848  -2.567  1.00  0.00           H  
HETATM   50  H   UNL     1       0.961   3.595  -2.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.586   2.594   2.557  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.142   2.297   3.555  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.629   3.965   3.168  1.00  0.00           H  
CONECT    1   28    2   29   30                                       
CONECT    2   10    1    3                                            
CONECT    3    2    4   31   32                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4    9    6   35                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   36                                                 
CONECT    8    6    6                                                 
CONECT    9    5   37   38                                            
CONECT   10   11    2   39   40                                       
CONECT   11   15   12   10   41                                       
CONECT   12   13   27   11   42                                       
CONECT   13   26   14   12   43                                       
CONECT   14   13   16   15   44                                       
CONECT   15   14   11                                                 
CONECT   16   20   14   17                                            
CONECT   17   16   18   18   45                                       
CONECT   18   19   17   17                                            
CONECT   19   20   20   24   18                                       
CONECT   20   21   16   19   19                                       
CONECT   21   22   22   20                                            
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   19   25                                       
CONECT   25   24   47   48                                            
CONECT   26   13   49                                                 
CONECT   27   12   50                                                 
CONECT   28    1   51   52   53                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
