COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.359  -1.081  -1.731  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.463   1.621   0.007  1.00  0.00           C  
HETATM    3  O   UNL     1       3.480   1.727  -0.374  1.00  0.00           O  
HETATM    4  C   UNL     1       3.461  -2.263   0.525  1.00  0.00           C  
HETATM    5  C   UNL     1       3.310  -2.070  -1.863  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.263   0.501  -0.027  1.00  0.00           C  
HETATM    7  C   UNL     1       3.861  -2.660  -0.739  1.00  0.00           C  
HETATM    8  C   UNL     1       0.933   0.390  -0.311  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.521   0.204  -0.230  1.00  0.00           C  
HETATM   10  CA  UNL     1       1.160   1.752  -0.220  1.00  0.00           C  
HETATM   11  C   UNL     1       1.954  -0.670  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.079   1.488  -0.094  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.350  -0.920  -0.251  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.051   2.401  -0.091  1.00  0.00           N  
HETATM   15  C   UNL     1       2.473   2.399  -0.256  1.00  0.00           C  
HETATM   16  C   UNL     1       2.517  -1.266   0.671  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.705  -0.767  -0.156  1.00  0.00           C  
HETATM   18  OXT UNL     1       2.566   3.742  -0.158  1.00  0.00           O  
HETATM   19 CL   UNL     1       2.020  -0.764   2.257  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.734  -2.164  -0.182  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -4.987   0.672   0.093  1.00  0.00          Cl  
HETATM   22  H   UNL     1       1.930  -0.621  -2.610  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.907   2.601   0.108  1.00  0.00           H  
HETATM   24  H   UNL     1       3.894  -2.728   1.398  1.00  0.00           H  
HETATM   25  H   UNL     1       3.627  -2.385  -2.846  1.00  0.00           H  
HETATM   26  H   UNL     1       4.606  -3.434  -0.848  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.922  -1.907  -0.344  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.161   3.362  -0.009  1.00  0.00           H  
HETATM   29  HXT UNL     1       3.473   4.077  -0.191  1.00  0.00           H  
CONECT    1   11    5    5   22                                       
CONECT    2   12    6    6   23                                       
CONECT    3   15   15                                                 
CONECT    4   16    7    7   24                                       
CONECT    5    1    1    7   25                                       
CONECT    6    2    2   17   21                                       
CONECT    7    4    4    5   26                                       
CONECT    8    9   10   10   11                                       
CONECT    9    8   12   12   13                                       
CONECT   10    8    8   14   15                                       
CONECT   11    8   16   16    1                                       
CONECT   12    9    9   14    2                                       
CONECT   13    9   17   17   27                                       
CONECT   14   10   12   28                                            
CONECT   15   10    3    3   18                                       
CONECT   16   11   11    4   19                                       
CONECT   17   13   13    6   20                                       
CONECT   18   29   15                                                 
CONECT   19   16                                                      
CONECT   20   17                                                      
CONECT   21    6                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
