COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.670  -0.390   0.308  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.985  -0.062   0.050  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.140  -1.079  -0.361  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.798  -0.827  -0.568  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.301   0.456  -0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.871   0.771  -0.576  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.363   1.844  -0.044  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.156   2.744   0.787  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.182   2.210   2.220  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.511   4.132   0.780  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.589   2.857   0.269  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.157   1.479   0.053  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.494   1.219   0.252  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.081  -0.068  -1.333  1.00  0.00           N  
HETATM   15  CA  UNL     1       1.334   0.249  -1.541  1.00  0.00           C  
HETATM   16  C   UNL     1       2.187  -0.967  -1.176  1.00  0.00           C  
HETATM   17  C   UNL     1       1.561   0.606  -2.988  1.00  0.00           C  
HETATM   18  O   UNL     1       0.636   0.597  -3.765  1.00  0.00           O  
HETATM   19  OXT UNL     1       2.791   0.934  -3.413  1.00  0.00           O  
HETATM   20  C   UNL     1       2.064  -1.242   0.300  1.00  0.00           C  
HETATM   21  C   UNL     1       2.843  -0.590   1.252  1.00  0.00           C  
HETATM   22  C   UNL     1       2.599  -0.959   2.521  1.00  0.00           C  
HETATM   23  S   UNL     1       1.336  -2.182   2.546  1.00  0.00           S  
HETATM   24  C   UNL     1       1.197  -2.124   0.794  1.00  0.00           C  
HETATM   25  C   UNL     1       0.240  -2.951  -0.026  1.00  0.00           C  
HETATM   26  C   UNL     1       0.853  -4.328  -0.289  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.119  -5.167  -1.121  1.00  0.00           C  
HETATM   28  C   UNL     1       3.862   0.432   0.894  1.00  0.00           C  
HETATM   29  C   UNL     1       3.989   1.671   1.447  1.00  0.00           C  
HETATM   30  N   UNL     1       5.032   2.282   0.846  1.00  0.00           N  
HETATM   31  N   UNL     1       5.566   1.401  -0.103  1.00  0.00           N  
HETATM   32  C   UNL     1       4.874   0.292  -0.075  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.532  -2.073  -0.519  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.139  -1.620  -0.888  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.164   2.157   2.607  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.773   2.879   2.846  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.627   1.215   2.230  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.476   4.511  -0.241  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.099   4.809   1.400  1.00  0.00           H  
HETATM   40  H   UNL     1       0.502   4.063   1.177  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.198   3.391   0.998  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.592   3.402  -0.675  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.157   2.010   0.568  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.463  -0.867  -1.728  1.00  0.00           H  
HETATM   45  HA  UNL     1       1.614   1.093  -0.911  1.00  0.00           H  
HETATM   46  H   UNL     1       1.842  -1.835  -1.738  1.00  0.00           H  
HETATM   47  H   UNL     1       3.230  -0.766  -1.422  1.00  0.00           H  
HETATM   48  HXT UNL     1       2.888   1.155  -4.349  1.00  0.00           H  
HETATM   49  H   UNL     1       3.102  -0.565   3.392  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.697  -3.067   0.518  1.00  0.00           H  
HETATM   51  H   UNL     1       0.050  -2.450  -0.975  1.00  0.00           H  
HETATM   52  H   UNL     1       1.790  -4.211  -0.832  1.00  0.00           H  
HETATM   53  H   UNL     1       1.043  -4.828   0.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.056  -5.284  -0.578  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.309  -4.667  -2.071  1.00  0.00           H  
HETATM   56  H   UNL     1       0.318  -6.148  -1.309  1.00  0.00           H  
HETATM   57  H   UNL     1       3.368   2.089   2.225  1.00  0.00           H  
HETATM   58  H   UNL     1       5.354   3.177   1.035  1.00  0.00           H  
HETATM   59  H   UNL     1       5.045  -0.578  -0.692  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   13                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4   12    6                                       
CONECT    6    5   14    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8   11    7    9   10                                       
CONECT    9    8   35   36   37                                       
CONECT   10    8   38   39   40                                       
CONECT   11   12    8   41   42                                       
CONECT   12   13   13    5   11                                       
CONECT   13    2   12   12   43                                       
CONECT   14    6   15   44                                            
CONECT   15   14   17   16   45                                       
CONECT   16   15   20   46   47                                       
CONECT   17   18   18   15   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   48                                                 
CONECT   20   16   21   24   24                                       
CONECT   21   28   20   22   22                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24                                                 
CONECT   24   20   20   25   23                                       
CONECT   25   24   26   50   51                                       
CONECT   26   25   27   52   53                                       
CONECT   27   26   54   55   56                                       
CONECT   28   29   29   32   21                                       
CONECT   29   30   28   28   57                                       
CONECT   30   31   29   58                                            
CONECT   31   30   32   32                                            
CONECT   32   31   31   28   59                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
