COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.552   2.939   0.171  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.261  -1.112  -0.238  1.00  0.00           C  
HETATM    3  C   UNL     1       4.376  -0.090  -1.364  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.145   1.742   0.731  1.00  0.00           C  
HETATM    5  C   UNL     1       0.788  -0.002  -0.137  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.402   0.551   0.078  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.066   0.556  -1.134  1.00  0.00           C  
HETATM    8  C   UNL     1       2.458   1.602   1.464  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.473   1.753  -1.694  1.00  0.00           C  
HETATM   10  C   UNL     1       3.466   1.115   0.463  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.216   2.944  -1.042  1.00  0.00           C  
HETATM   12  CA  UNL     1       3.244   0.224  -0.478  1.00  0.00           C  
HETATM   13  CA  UNL     1      -3.958  -0.753   0.688  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.681  -1.207   0.030  1.00  0.00           C  
HETATM   15  C   UNL     1       0.249  -2.350   0.454  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.001  -1.768   0.487  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.503  -0.670   0.402  1.00  0.00           N  
HETATM   18  N   UNL     1       2.055  -0.455  -0.729  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.714  -2.056  -0.836  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.362  -2.816   1.386  1.00  0.00           O  
HETATM   21  O   UNL     1       5.410   0.544  -1.277  1.00  0.00           O  
HETATM   22  OXT UNL     1       4.268  -1.080  -2.272  1.00  0.00           O  
HETATM   23  S   UNL     1       1.118   0.381   1.614  1.00  0.00           S  
HETATM   24 CL   UNL     1       5.063   1.789   0.556  1.00  0.00          Cl  
HETATM   25  H   UNL     1      -4.355   3.869   0.682  1.00  0.00           H  
HETATM   26  HA  UNL     1      -0.453  -1.335  -1.288  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.626   1.738   1.678  1.00  0.00           H  
HETATM   28  H   UNL     1       0.434   0.891  -0.652  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.266  -0.374  -1.644  1.00  0.00           H  
HETATM   30  H   UNL     1       2.941   1.733   2.432  1.00  0.00           H  
HETATM   31  H   UNL     1       2.046   2.554   1.131  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.992   1.757  -2.641  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.537   3.879  -1.477  1.00  0.00           H  
HETATM   34  HA  UNL     1      -3.787  -0.615   1.756  1.00  0.00           H  
HETATM   35  H1  UNL     1      -5.178  -1.914  -0.496  1.00  0.00           H  
HETATM   36  H2  UNL     1      -4.755  -2.634   0.943  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.476   0.008   1.095  1.00  0.00           H  
HETATM   38  H   UNL     1       2.062  -1.238  -1.302  1.00  0.00           H  
HETATM   39  HXT UNL     1       5.038  -1.249  -2.832  1.00  0.00           H  
HETATM   40  OXT UNL     1       1.382  -2.935   0.034  1.00  0.00           O  
HETATM   41  HXT UNL     1       1.669  -3.727   0.509  1.00  0.00           H  
CONECT    1    4   11   11   25                                       
CONECT    2   17   15    5   26                                       
CONECT    3   12   21   21   22                                       
CONECT    4    6    6    1   27                                       
CONECT    5    2   23   18   28                                       
CONECT    6   13    4    4    7                                       
CONECT    7    6    9    9   29                                       
CONECT    8   23   10   30   31                                       
CONECT    9    7    7   11   32                                       
CONECT   10    8   12   12   24                                       
CONECT   11    1    1    9   33                                       
CONECT   12   18   10   10    3                                       
CONECT   13   16   14    6   34                                       
CONECT   14   13   19   19   17                                       
CONECT   15   20   20    2   40                                       
CONECT   16   13   35   36                                            
CONECT   17   14    2   37                                            
CONECT   18    5   12   38                                            
CONECT   19   14   14                                                 
CONECT   20   15   15                                                 
CONECT   21    3    3                                                 
CONECT   22    3   39                                                 
CONECT   23    5    8                                                 
CONECT   24   10                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   15   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
