COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.164   0.510  -0.532  1.00  0.00           C  
HETATM    2  C   UNL     1       3.472   1.230  -0.841  1.00  0.00           C  
HETATM    3  C   UNL     1       4.697   1.329   0.071  1.00  0.00           C  
HETATM    4  C   UNL     1       5.479   2.071   2.331  1.00  0.00           C  
HETATM    5  C   UNL     1       4.317   2.065   1.357  1.00  0.00           C  
HETATM    6  C   UNL     1       4.077   3.535   1.079  1.00  0.00           C  
HETATM    7  C   UNL     1       3.885   0.636  -2.188  1.00  0.00           C  
HETATM    8  N   UNL     1       2.466   0.367  -0.215  1.00  0.00           N  
HETATM    9  C   UNL     1       0.130  -0.377   0.112  1.00  0.00           C  
HETATM   10  C   UNL     1       0.433  -1.839  -0.222  1.00  0.00           C  
HETATM   11  C   UNL     1       4.964   4.202   1.787  1.00  0.00           C  
HETATM   12  O   UNL     1       0.824   1.357  -1.331  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.052  -4.977   2.361  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.541  -2.747   0.531  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.272  -3.525   2.790  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.320  -4.199   0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.294  -5.107   0.856  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.298  -2.617   2.036  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.294  -0.287   0.346  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.649  -0.275   0.732  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.922   0.155   0.051  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.595  -0.725  -0.775  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.764  -0.332  -1.401  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.259   0.943  -1.201  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.585   1.825  -0.375  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.419   1.429   0.255  1.00  0.00           C  
HETATM   27 CL   UNL     1      -8.207   3.427  -0.124  1.00  0.00          Cl  
HETATM   28  N   UNL     1      -1.199  -0.025  -0.395  1.00  0.00           N  
HETATM   29  N   UNL     1       5.788   3.369   2.522  1.00  0.00           N  
HETATM   30  O   UNL     1       6.016   1.108   2.836  1.00  0.00           O  
HETATM   31  O   UNL     1       4.944   1.416  -2.748  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.515   0.036  -0.119  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.179  -0.814   1.435  1.00  0.00           O  
HETATM   34  H   UNL     1       3.052   2.224  -0.995  1.00  0.00           H  
HETATM   35  H   UNL     1       5.049   0.327   0.316  1.00  0.00           H  
HETATM   36  H   UNL     1       5.487   1.877  -0.442  1.00  0.00           H  
HETATM   37  H   UNL     1       3.438   1.610   1.812  1.00  0.00           H  
HETATM   38  H   UNL     1       3.325   3.954   0.426  1.00  0.00           H  
HETATM   39  H   UNL     1       3.032   0.642  -2.866  1.00  0.00           H  
HETATM   40  H   UNL     1       2.738  -0.307   0.428  1.00  0.00           H  
HETATM   41  H   UNL     1       0.155  -0.239   1.193  1.00  0.00           H  
HETATM   42  H   UNL     1       0.321  -1.997  -1.295  1.00  0.00           H  
HETATM   43  H   UNL     1       1.455  -2.075   0.075  1.00  0.00           H  
HETATM   44  H   UNL     1       5.039   5.279   1.794  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.028  -5.272   2.591  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.746  -5.624   2.898  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.565  -2.451   0.302  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.296  -3.230   2.560  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.099  -3.433   3.862  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.493  -4.291  -0.970  1.00  0.00           H  
HETATM   51  H   UNL     1       0.703  -4.494   0.332  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.137  -6.141   0.551  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.318  -4.812   0.626  1.00  0.00           H  
HETATM   54  H   UNL     1       0.725  -2.912   2.266  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.456  -1.583   2.342  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.547   0.254   1.680  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.681  -1.349   0.917  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.208  -1.722  -0.932  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.290  -1.020  -2.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.171   1.251  -1.690  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.893   2.117   0.900  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.291   0.396  -1.264  1.00  0.00           H  
HETATM   63  H   UNL     1       6.500   3.680   3.102  1.00  0.00           H  
HETATM   64  S   UNL     1       4.453  -1.070  -1.949  1.00  0.00           S  
HETATM   65  O   UNL     1       4.535  -1.749  -3.195  1.00  0.00           O  
HETATM   66  O   UNL     1       5.528  -1.112  -1.020  1.00  0.00           O  
HETATM   67  O   UNL     1       3.304  -1.755  -1.223  1.00  0.00           O  
HETATM   68  H   UNL     1       4.711   2.341  -2.904  1.00  0.00           H  
HETATM   69  H   UNL     1       3.464  -2.687  -1.024  1.00  0.00           H  
CONECT    1    8   12   12    9                                       
CONECT    2    3    7    8   34                                       
CONECT    3    5    2   35   36                                       
CONECT    4   29   30   30    5                                       
CONECT    5    4    3    6   37                                       
CONECT    6   11   11    5   38                                       
CONECT    7   31    2   39   64                                       
CONECT    8    2    1   40                                            
CONECT    9    1   28   10   41                                       
CONECT   10    9   14   42   43                                       
CONECT   11   29    6    6   44                                       
CONECT   12    1    1                                                 
CONECT   13   15   17   45   46                                       
CONECT   14   10   18   16   47                                       
CONECT   15   18   13   48   49                                       
CONECT   16   14   17   50   51                                       
CONECT   17   16   13   52   53                                       
CONECT   18   14   15   54   55                                       
CONECT   19   33   33   32   28                                       
CONECT   20   21   32   56   57                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   58                                       
CONECT   23   24   24   22   59                                       
CONECT   24   23   23   25   60                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25   21   61                                       
CONECT   27   25                                                      
CONECT   28   19    9   62                                            
CONECT   29   11    4   63                                            
CONECT   30    4    4                                                 
CONECT   31    7   68                                                 
CONECT   32   20   19                                                 
CONECT   33   19   19                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64    7   65   65   66                                       
CONECT   64   66   67                                                 
CONECT   65   64   64                                                 
CONECT   66   64   64                                                 
CONECT   67   64   69                                                 
CONECT   68   31                                                      
CONECT   69   67                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
