COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.553  -1.292  -1.185  1.00  0.00          Cl  
HETATM    2  C   UNL     1       1.903   2.331   1.398  1.00  0.00           C  
HETATM    3  O   UNL     1       1.361   3.304   0.932  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.307   0.963   1.187  1.00  0.00           C  
HETATM    5  N   UNL     1       0.079   1.082   0.398  1.00  0.00           N  
HETATM    6  C   UNL     1       2.309   0.079   0.442  1.00  0.00           C  
HETATM    7  S   UNL     1       2.843   0.867  -1.135  1.00  0.00           S  
HETATM    8  C   UNL     1       4.483   0.039  -1.174  1.00  0.00           C  
HETATM    9  CA  UNL     1       4.685  -0.430   0.279  1.00  0.00           C  
HETATM   10  N   UNL     1       3.605   0.002   1.173  1.00  0.00           N  
HETATM   11  C   UNL     1       4.758  -1.935   0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.091   1.355   1.009  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.127   1.504   2.215  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.326   1.475   0.215  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.862   2.594  -0.370  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.984   2.205  -0.980  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.212   1.026  -0.856  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.291   0.418  -0.153  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.296   3.990  -0.331  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.230  -1.021   0.200  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.231  -1.891  -0.232  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.169  -3.230   0.100  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.117  -3.708   0.860  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.122  -2.850   1.291  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.170  -1.511   0.960  1.00  0.00           C  
HETATM   26  C   UNL     1       5.577   1.029  -1.578  1.00  0.00           C  
HETATM   27  C   UNL     1       4.459  -1.158  -2.128  1.00  0.00           C  
HETATM   28  OXT UNL     1       5.901  -2.556  -0.032  1.00  0.00           O  
HETATM   29  O   UNL     1       3.788  -2.583   0.614  1.00  0.00           O  
HETATM   30  H   UNL     1       2.818   2.440   1.962  1.00  0.00           H  
HETATM   31  HA  UNL     1       1.076   0.514   2.154  1.00  0.00           H  
HETATM   32  H   UNL     1       0.107   0.963  -0.564  1.00  0.00           H  
HETATM   33  H   UNL     1       1.897  -0.914   0.265  1.00  0.00           H  
HETATM   34  HA  UNL     1       5.628  -0.030   0.650  1.00  0.00           H  
HETATM   35  H   UNL     1       3.827   0.885   1.608  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.626   4.134  -1.179  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.109   4.714  -0.384  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.742   4.132   0.597  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.943  -3.905  -0.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.072  -4.756   1.119  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.303  -3.229   1.885  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.392  -0.842   1.297  1.00  0.00           H  
HETATM   43  H   UNL     1       5.594   1.859  -0.872  1.00  0.00           H  
HETATM   44  H   UNL     1       6.543   0.525  -1.571  1.00  0.00           H  
HETATM   45  H   UNL     1       5.372   1.408  -2.579  1.00  0.00           H  
HETATM   46  H   UNL     1       4.236  -0.814  -3.138  1.00  0.00           H  
HETATM   47  H   UNL     1       5.431  -1.650  -2.118  1.00  0.00           H  
HETATM   48  H   UNL     1       3.692  -1.863  -1.807  1.00  0.00           H  
HETATM   49  HXT UNL     1       5.900  -3.522  -0.005  1.00  0.00           H  
CONECT    1   21                                                      
CONECT    2    3    3    4   30                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   31                                       
CONECT    5    4   12   32                                            
CONECT    6    4   10    7   33                                       
CONECT    7    6    8                                                 
CONECT    8    7   27   26    9                                       
CONECT    9    8   11   10   34                                       
CONECT   10    6    9   35                                            
CONECT   11    9   29   29   28                                       
CONECT   12    5   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   18   15   15                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18                                            
CONECT   18   14   17   17   20                                       
CONECT   19   15   36   37   38                                       
CONECT   20   18   25   25   21                                       
CONECT   21    1   20   22   22                                       
CONECT   22   21   21   23   39                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   41                                       
CONECT   25   20   20   24   42                                       
CONECT   26    8   43   44   45                                       
CONECT   27    8   46   47   48                                       
CONECT   28   11   49                                                 
CONECT   29   11   11                                                 
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
