COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.137   1.762   0.672  1.00  0.00           C  
HETATM    2  O   UNL     1       1.394   2.909   0.371  1.00  0.00           O  
HETATM    3  N   UNL     1       1.842   0.641   0.687  1.00  0.00           N  
HETATM    4  CA  UNL     1       2.996   0.071   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1       3.137  -1.248   0.067  1.00  0.00           C  
HETATM    6 CL   UNL     1       4.575  -1.831  -0.712  1.00  0.00          Cl  
HETATM    7  OXT UNL     1       5.159   0.398  -0.969  1.00  0.00           O  
HETATM    8  C   UNL     1       4.052   0.941  -0.423  1.00  0.00           C  
HETATM    9  O   UNL     1       3.926   2.149  -0.378  1.00  0.00           O  
HETATM   10  C   UNL     1       2.210  -2.293   0.598  1.00  0.00           C  
HETATM   11  S   UNL     1       0.517  -1.661   0.803  1.00  0.00           S  
HETATM   12  C   UNL     1       0.850  -0.035   1.562  1.00  0.00           C  
HETATM   13  CA  UNL     1      -0.102   1.074   1.176  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.049   0.702   0.122  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.177   1.419  -0.055  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.407   2.372   0.658  1.00  0.00           O  
HETATM   17  CA  UNL     1      -3.151   1.036  -1.140  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.011   2.184  -1.453  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.001  -0.115  -0.667  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.706  -1.404  -1.070  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.486  -2.459  -0.636  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.562  -2.226   0.200  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.858  -0.937   0.603  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.074   0.118   0.174  1.00  0.00           C  
HETATM   25  HXT UNL     1       5.825   1.010  -1.311  1.00  0.00           H  
HETATM   26  H   UNL     1       2.192  -3.135  -0.094  1.00  0.00           H  
HETATM   27  H   UNL     1       2.580  -2.637   1.563  1.00  0.00           H  
HETATM   28  H   UNL     1       1.114  -0.083   2.618  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.574   1.573   2.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.865  -0.060  -0.449  1.00  0.00           H  
HETATM   31  HA  UNL     1      -2.601   0.739  -2.033  1.00  0.00           H  
HETATM   32  H1  UNL     1      -4.531   2.479  -0.640  1.00  0.00           H  
HETATM   33  H2  UNL     1      -3.471   2.947  -1.833  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.866  -1.586  -1.723  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.255  -3.466  -0.951  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.172  -3.050   0.538  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.698  -0.754   1.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.302   1.125   0.492  1.00  0.00           H  
CONECT    1    3    2    2   13                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   12                                            
CONECT    4    8    3    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5                                                      
CONECT    7    8   25                                                 
CONECT    8    9    9    4    7                                       
CONECT    9    8    8                                                 
CONECT   10    5   11   26   27                                       
CONECT   11   12   10                                                 
CONECT   12    3   13   11   28                                       
CONECT   13    1   12   14   29                                       
CONECT   14   13   15   30                                            
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   19   31                                       
CONECT   18   17   32   33                                            
CONECT   19   17   24   24   20                                       
CONECT   20   19   21   21   34                                       
CONECT   21   20   20   22   35                                       
CONECT   22   23   23   21   36                                       
CONECT   23   24   22   22   37                                       
CONECT   24   19   19   23   38                                       
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
