COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.737  -0.580   0.416  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.963  -0.038   0.748  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.083  -0.344  -0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.977  -1.193  -1.093  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.754  -1.737  -1.430  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.628  -1.433  -0.675  1.00  0.00           C  
HETATM    7 CL   UNL     1      -8.623   0.339   0.414  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -3.387  -1.983  -1.014  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.496  -2.281  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.118  -2.767  -0.417  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.312  -3.031   0.856  1.00  0.00           C  
HETATM   12  C   UNL     1       1.066  -3.518   0.487  1.00  0.00           C  
HETATM   13  C   UNL     1       2.070  -2.601   0.199  1.00  0.00           C  
HETATM   14  C   UNL     1       3.338  -3.046  -0.141  1.00  0.00           C  
HETATM   15  C   UNL     1       3.601  -4.415  -0.193  1.00  0.00           C  
HETATM   16  C   UNL     1       2.585  -5.328   0.098  1.00  0.00           C  
HETATM   17  C   UNL     1       1.328  -4.874   0.440  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.802  -2.157   1.119  1.00  0.00           O  
HETATM   19  N   UNL     1       1.801  -1.230   0.252  1.00  0.00           N  
HETATM   20  C   UNL     1       2.809  -0.351   0.419  1.00  0.00           C  
HETATM   21  C   UNL     1       2.544   1.095   0.350  1.00  0.00           C  
HETATM   22  O   UNL     1       3.938  -0.753   0.625  1.00  0.00           O  
HETATM   23  C   UNL     1       4.950  -4.898  -0.554  1.00  0.00           C  
HETATM   24  O   UNL     1       5.201  -6.220  -0.604  1.00  0.00           O  
HETATM   25  O   UNL     1       5.832  -4.102  -0.807  1.00  0.00           O  
HETATM   26  N   UNL     1       1.382   1.643   0.136  1.00  0.00           N  
HETATM   27  C   UNL     1       1.343   2.956   0.110  1.00  0.00           C  
HETATM   28  C   UNL     1       2.542   3.555   0.313  1.00  0.00           C  
HETATM   29  S   UNL     1       3.744   2.366   0.552  1.00  0.00           S  
HETATM   30  C   UNL     1       2.755   5.052   0.325  1.00  0.00           C  
HETATM   31  N   UNL     1       1.581   5.695  -0.286  1.00  0.00           N  
HETATM   32  C   UNL     1       0.337   5.206   0.327  1.00  0.00           C  
HETATM   33  C   UNL     1       0.074   3.767  -0.125  1.00  0.00           C  
HETATM   34  C   UNL     1       1.674   7.158  -0.193  1.00  0.00           C  
HETATM   35  C   UNL     1       2.980   7.628  -0.837  1.00  0.00           C  
HETATM   36  C   UNL     1       0.488   7.792  -0.924  1.00  0.00           C  
HETATM   37  H   UNL     1      -3.863  -0.338   1.002  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.048   0.625   1.596  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.853  -1.430  -1.679  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.672  -2.400  -2.278  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.168  -2.150  -1.944  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.201  -3.690  -0.992  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.614  -2.009  -1.016  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.229  -2.109   1.431  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.816  -3.789   1.455  1.00  0.00           H  
HETATM   46  H   UNL     1       4.120  -2.335  -0.365  1.00  0.00           H  
HETATM   47  H   UNL     1       2.784  -6.389   0.059  1.00  0.00           H  
HETATM   48  H   UNL     1       0.544  -5.582   0.669  1.00  0.00           H  
HETATM   49  H   UNL     1       0.888  -0.911   0.169  1.00  0.00           H  
HETATM   50  H   UNL     1       6.099  -6.488  -0.845  1.00  0.00           H  
HETATM   51  H   UNL     1       2.868   5.398   1.353  1.00  0.00           H  
HETATM   52  H   UNL     1       3.648   5.300  -0.248  1.00  0.00           H  
HETATM   53  H   UNL     1       0.432   5.235   1.412  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.493   5.841   0.018  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.180   3.755  -1.185  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.746   3.344   0.455  1.00  0.00           H  
HETATM   57  H   UNL     1       1.657   7.458   0.855  1.00  0.00           H  
HETATM   58  H   UNL     1       3.049   8.714  -0.768  1.00  0.00           H  
HETATM   59  H   UNL     1       3.824   7.176  -0.316  1.00  0.00           H  
HETATM   60  H   UNL     1       2.997   7.329  -1.885  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.442   7.457  -0.465  1.00  0.00           H  
HETATM   62  H   UNL     1       0.557   8.877  -0.855  1.00  0.00           H  
HETATM   63  H   UNL     1       0.505   7.492  -1.972  1.00  0.00           H  
CONECT    1    2    2    6   37                                       
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    1    5    5    8                                       
CONECT    7    3                                                      
CONECT    8    6    9   41                                            
CONECT    9    8   10   18   18                                       
CONECT   10    9   11   42   43                                       
CONECT   11   10   12   44   45                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   19                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   23                                       
CONECT   16   15   17   17   47                                       
CONECT   17   12   16   16   48                                       
CONECT   18    9    9                                                 
CONECT   19   13   20   49                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   26   26   29                                       
CONECT   22   20   20                                                 
CONECT   23   15   24   25   25                                       
CONECT   24   23   50                                                 
CONECT   25   23   23                                                 
CONECT   26   21   21   27                                            
CONECT   27   26   28   28   33                                       
CONECT   28   27   27   29   30                                       
CONECT   29   21   28                                                 
CONECT   30   28   31   51   52                                       
CONECT   31   30   32   34                                            
CONECT   32   31   33   53   54                                       
CONECT   33   27   32   55   56                                       
CONECT   34   31   35   36   57                                       
CONECT   35   34   58   59   60                                       
CONECT   36   34   61   62   63                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
