COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       0.192   4.126  -2.328  1.00  0.00          Cl  
HETATM    2  C   UNL     1       0.133   3.126  -0.909  1.00  0.00           C  
HETATM    3  C   UNL     1       0.291   1.758  -1.022  1.00  0.00           C  
HETATM    4  C   UNL     1       0.243   0.960   0.113  1.00  0.00           C  
HETATM    5  C   UNL     1       0.036   1.539   1.358  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.121   2.907   1.464  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.067   3.701   0.333  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.017   0.676   2.592  1.00  0.00           C  
HETATM    9  N   UNL     1       0.403  -0.427   0.003  1.00  0.00           N  
HETATM   10  C   UNL     1       1.585  -1.116   0.066  1.00  0.00           C  
HETATM   11  N   UNL     1       1.346  -2.397  -0.077  1.00  0.00           N  
HETATM   12  CA  UNL     1       0.023  -2.592  -0.236  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.596  -1.348  -0.183  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.040  -1.072  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.664  -0.182   0.567  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.015   0.071   0.442  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.751  -0.554  -0.551  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.138  -1.436  -1.423  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.787  -1.694  -1.313  1.00  0.00           C  
HETATM   20 CL   UNL     1      -4.794   1.176   1.532  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -0.647  -3.887  -0.427  1.00  0.00           C  
HETATM   22  OXT UNL     1       0.078  -5.023  -0.453  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.854  -3.933  -0.561  1.00  0.00           O  
HETATM   24  C   UNL     1       2.919  -0.511   0.264  1.00  0.00           C  
HETATM   25  C   UNL     1       4.071  -1.252  -0.002  1.00  0.00           C  
HETATM   26  C   UNL     1       5.313  -0.680   0.185  1.00  0.00           C  
HETATM   27  C   UNL     1       5.418   0.624   0.634  1.00  0.00           C  
HETATM   28  C   UNL     1       4.279   1.364   0.900  1.00  0.00           C  
HETATM   29  C   UNL     1       3.032   0.807   0.712  1.00  0.00           C  
HETATM   30  C   UNL     1       6.559  -1.479  -0.102  1.00  0.00           C  
HETATM   31  H   UNL     1       0.451   1.310  -1.991  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.282   3.358   2.433  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.186   4.771   0.420  1.00  0.00           H  
HETATM   34  H   UNL     1       0.986   0.575   3.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.672   1.138   3.331  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.402  -0.309   2.330  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.092   0.305   1.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.808  -0.353  -0.645  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.718  -1.920  -2.195  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.310  -2.380  -1.997  1.00  0.00           H  
HETATM   41  HXT UNL     1      -0.407  -5.850  -0.580  1.00  0.00           H  
HETATM   42  H   UNL     1       3.991  -2.270  -0.352  1.00  0.00           H  
HETATM   43  H   UNL     1       6.392   1.066   0.779  1.00  0.00           H  
HETATM   44  H   UNL     1       4.368   2.381   1.251  1.00  0.00           H  
HETATM   45  H   UNL     1       2.144   1.387   0.915  1.00  0.00           H  
HETATM   46  H   UNL     1       6.851  -1.337  -1.142  1.00  0.00           H  
HETATM   47  H   UNL     1       7.364  -1.143   0.551  1.00  0.00           H  
HETATM   48  H   UNL     1       6.362  -2.536   0.079  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   31                                       
CONECT    4    9    3    3    5                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    7   32                                       
CONECT    7    2    2    6   33                                       
CONECT    8    5   34   35   36                                       
CONECT    9   13   10    4                                            
CONECT   10   11   11    9   24                                       
CONECT   11   12   10   10                                            
CONECT   12   21   11   13   13                                       
CONECT   13   12   12   14    9                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   20                                       
CONECT   17   18   18   16   38                                       
CONECT   18   19   17   17   39                                       
CONECT   19   14   14   18   40                                       
CONECT   20   16                                                      
CONECT   21   23   23   22   12                                       
CONECT   22   21   41                                                 
CONECT   23   21   21                                                 
CONECT   24   10   25   25   29                                       
CONECT   25   24   24   26   42                                       
CONECT   26   30   25   27   27                                       
CONECT   27   26   26   28   43                                       
CONECT   28   29   29   27   44                                       
CONECT   29   24   28   28   45                                       
CONECT   30   26   46   47   48                                       
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
