COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1 CL   UNL     1       1.119  -5.908  -0.120  1.00  0.00          Cl  
HETATM    2  C   UNL     1       1.549  -4.246   0.141  1.00  0.00           C  
HETATM    3  C   UNL     1       1.414  -3.694   1.415  1.00  0.00           C  
HETATM    4  C   UNL     1       1.742  -2.395   1.653  1.00  0.00           C  
HETATM    5  C   UNL     1       2.224  -1.595   0.603  1.00  0.00           C  
HETATM    6  C   UNL     1       2.578  -0.251   0.812  1.00  0.00           C  
HETATM    7  C   UNL     1       2.361  -2.156  -0.692  1.00  0.00           C  
HETATM    8  C   UNL     1       2.013  -3.501  -0.900  1.00  0.00           C  
HETATM    9  C   UNL     1       2.844  -1.356  -1.742  1.00  0.00           C  
HETATM   10  C   UNL     1       3.172  -0.057  -1.503  1.00  0.00           C  
HETATM   11  C   UNL     1       3.037   0.495  -0.230  1.00  0.00           C  
HETATM   12  S   UNL     1       3.473   2.181   0.036  1.00  0.00           S  
HETATM   13  O   UNL     1       3.742   2.296   1.426  1.00  0.00           O  
HETATM   14  O   UNL     1       4.378   2.515  -1.008  1.00  0.00           O  
HETATM   15  N   UNL     1       2.117   3.092  -0.236  1.00  0.00           N  
HETATM   16  C   UNL     1       0.951   2.949   0.639  1.00  0.00           C  
HETATM   17  C   UNL     1       0.244   4.312   0.824  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.242   3.892   0.870  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.098   2.069  -0.004  1.00  0.00           C  
HETATM   20  O   UNL     1       0.126   1.018  -0.565  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.314   2.626   0.131  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.553   2.042  -0.388  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.452   1.899  -1.908  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.766   0.684   0.230  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.961   0.247   1.026  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.849  -0.046  -0.101  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.085  -1.376   0.486  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.544  -1.442   0.949  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.408  -1.144  -0.147  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.239   0.236  -0.470  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.847   0.459  -1.060  1.00  0.00           C  
HETATM   32  H   UNL     1       1.043  -4.306   2.224  1.00  0.00           H  
HETATM   33  H   UNL     1       1.632  -1.980   2.644  1.00  0.00           H  
HETATM   34  H   UNL     1       2.482   0.189   1.794  1.00  0.00           H  
HETATM   35  H   UNL     1       2.112  -3.942  -1.881  1.00  0.00           H  
HETATM   36  H   UNL     1       2.953  -1.770  -2.734  1.00  0.00           H  
HETATM   37  H   UNL     1       3.543   0.555  -2.311  1.00  0.00           H  
HETATM   38  H   UNL     1       2.094   3.719  -0.976  1.00  0.00           H  
HETATM   39  H   UNL     1       1.248   2.540   1.605  1.00  0.00           H  
HETATM   40  H   UNL     1       0.437   4.970  -0.023  1.00  0.00           H  
HETATM   41  H   UNL     1       0.545   4.784   1.760  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.863   4.647   0.387  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.561   3.745   1.902  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.393   2.690  -0.139  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.612   1.251  -2.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.374   1.465  -2.295  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.299   2.882  -2.355  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.901  -2.146  -0.263  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.421  -1.525   1.338  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.762  -2.443   1.321  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.705  -0.716   1.746  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.995   0.533  -1.197  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.348   0.836   0.433  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.688   1.524  -1.234  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.754  -0.085  -2.000  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   11   11   34                                       
CONECT    7    5    8    8    9                                       
CONECT    8    2    7    7   35                                       
CONECT    9    7   10   10   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   38                                            
CONECT   16   15   17   19   39                                       
CONECT   17   16   18   40   41                                       
CONECT   18   17   21   42   43                                       
CONECT   19   16   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   18   19   22                                            
CONECT   22   21   23   24   44                                       
CONECT   23   22   45   46   47                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   31                                            
CONECT   27   26   28   48   49                                       
CONECT   28   27   29   50   51                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   52   53                                       
CONECT   31   26   30   54   55                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
