COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.489  -0.275   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1       2.104  -0.022   0.326  1.00  0.00           C  
HETATM    3  C   UNL     1       1.997  -1.265   0.941  1.00  0.00           C  
HETATM    4  C   UNL     1       3.138  -2.001   1.194  1.00  0.00           C  
HETATM    5  C   UNL     1       4.379  -1.511   0.824  1.00  0.00           C  
HETATM    6  C   UNL     1       3.443   1.818  -0.707  1.00  0.00           C  
HETATM    7  C   UNL     1       2.206   2.038  -1.576  1.00  0.00           C  
HETATM    8  C   UNL     1       0.909   0.805   0.046  1.00  0.00           C  
HETATM    9  C   UNL     1       2.182   3.490  -2.058  1.00  0.00           C  
HETATM   10  C   UNL     1       2.273   1.108  -2.789  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.443   2.598   1.320  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.719   0.565   0.698  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.803  -0.570  -0.289  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.940  -0.710  -1.296  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.778  -1.550  -0.217  1.00  0.00           C  
HETATM   16 CL   UNL     1       5.806  -2.450   1.136  1.00  0.00          Cl  
HETATM   17  C   UNL     1       3.359   0.470  -0.042  1.00  0.00           C  
HETATM   18  N   UNL     1       0.982   1.763  -0.831  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.274   0.561   0.710  1.00  0.00           N  
HETATM   20  CA  UNL     1      -1.454   1.382   0.430  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.542   2.762   2.108  1.00  0.00           O  
HETATM   22  OXT UNL     1      -2.435   3.499   1.238  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.351  -2.142  -2.231  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.710  -2.483  -1.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.836  -1.563   0.856  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.010  -0.682   0.425  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.085  -0.694   1.514  1.00  0.00           C  
HETATM   28  H   UNL     1       5.460   0.104  -0.078  1.00  0.00           H  
HETATM   29  H   UNL     1       1.028  -1.648   1.227  1.00  0.00           H  
HETATM   30  H   UNL     1       3.061  -2.965   1.676  1.00  0.00           H  
HETATM   31  H   UNL     1       4.336   1.861  -1.330  1.00  0.00           H  
HETATM   32  H   UNL     1       3.494   2.596   0.054  1.00  0.00           H  
HETATM   33  H   UNL     1       3.080   3.693  -2.641  1.00  0.00           H  
HETATM   34  H   UNL     1       1.301   3.652  -2.679  1.00  0.00           H  
HETATM   35  H   UNL     1       2.149   4.158  -1.197  1.00  0.00           H  
HETATM   36  H   UNL     1       2.305   0.072  -2.451  1.00  0.00           H  
HETATM   37  H   UNL     1       1.393   1.260  -3.413  1.00  0.00           H  
HETATM   38  H   UNL     1       3.171   1.329  -3.367  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.595   1.205   0.591  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.685   0.164   1.711  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.115  -0.045  -1.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.325  -0.154   1.364  1.00  0.00           H  
HETATM   43  HA  UNL     1      -1.439   1.696  -0.614  1.00  0.00           H  
HETATM   44  HXT UNL     1      -2.384   4.262   1.829  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.384  -3.321  -1.268  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.186  -2.584   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.416  -1.179   1.786  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.661   0.340   0.271  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.431  -1.066  -0.505  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.921  -0.066   1.207  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.434  -1.715   1.668  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.664  -0.310   2.443  1.00  0.00           H  
CONECT    1    5   17   17   28                                       
CONECT    2    3    3   17    8                                       
CONECT    3    4    2    2   29                                       
CONECT    4    5    5    3   30                                       
CONECT    5   16    4    4    1                                       
CONECT    6   17    7   31   32                                       
CONECT    7    6   18   10    9                                       
CONECT    8    2   19   18   18                                       
CONECT    9    7   33   34   35                                       
CONECT   10    7   36   37   38                                       
CONECT   11   21   21   22   20                                       
CONECT   12   20   13   39   40                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   23   41                                       
CONECT   15   13   24   24   25                                       
CONECT   16    5                                                      
CONECT   17    1    1    2    6                                       
CONECT   18    8    8    7                                            
CONECT   19    8   20   42                                            
CONECT   20   19   11   12   43                                       
CONECT   21   11   11                                                 
CONECT   22   11   44                                                 
CONECT   23   14   24                                                 
CONECT   24   23   15   15   45                                       
CONECT   25   15   26   46   47                                       
CONECT   26   25   27   48   49                                       
CONECT   27   26   50   51   52                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
