COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.729   2.622   2.467  1.00  0.00           C  
HETATM    2  C   UNL     1       6.799   1.759   1.925  1.00  0.00           C  
HETATM    3  C   UNL     1       9.257   2.107   0.691  1.00  0.00           C  
HETATM    4  C   UNL     1       7.100   1.057   0.759  1.00  0.00           C  
HETATM    5  C   UNL     1       6.103   0.127   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1       5.481  -0.828   0.973  1.00  0.00           C  
HETATM    7  C   UNL     1       4.555  -1.690   0.421  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.846   1.035  -0.094  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.319  -0.040   0.605  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.196   0.133   1.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.593   1.376   1.481  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.110   2.453   0.788  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.013  -1.553   1.302  1.00  0.00           C  
HETATM   14  C   UNL     1       4.243  -1.607  -0.924  1.00  0.00           C  
HETATM   15  C   UNL     1       3.231  -2.551  -1.520  1.00  0.00           C  
HETATM   16  C   UNL     1       5.782   0.210  -1.183  1.00  0.00           C  
HETATM   17 CL   UNL     1       6.547   1.402  -2.187  1.00  0.00          Cl  
HETATM   18  C   UNL     1       4.857  -0.661  -1.724  1.00  0.00           C  
HETATM   19  N   UNL     1       1.891  -1.957  -1.424  1.00  0.00           N  
HETATM   20  C   UNL     1       0.876  -2.852  -1.996  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.384  -2.119  -2.488  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.947  -2.307  -1.074  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.596  -1.165  -0.122  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.421  -1.969   1.286  1.00  0.00           N  
HETATM   25  S   UNL     1      -3.526  -1.234   2.277  1.00  0.00           S  
HETATM   26  C   UNL     1      -5.238   2.289  -0.002  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.980   3.155  -0.801  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.705   4.580  -1.005  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.992   2.461  -1.354  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.935   1.178  -0.951  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.865   0.115  -1.339  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.828   2.922  -2.108  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.790  -0.686   3.362  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.590  -2.160   2.449  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.836  -3.046   0.377  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.431  -2.668  -1.052  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.020  -3.522  -0.940  1.00  0.00           C  
HETATM   38  C   UNL     1       8.956   2.796   1.852  1.00  0.00           C  
HETATM   39  C   UNL     1       8.339   1.232   0.147  1.00  0.00           C  
HETATM   40  H   UNL     1       7.497   3.167   3.370  1.00  0.00           H  
HETATM   41  H   UNL     1       5.840   1.627   2.404  1.00  0.00           H  
HETATM   42  H   UNL     1      10.218   2.243   0.218  1.00  0.00           H  
HETATM   43  H   UNL     1       5.723  -0.895   2.023  1.00  0.00           H  
HETATM   44  H   UNL     1       4.073  -2.431   1.041  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.787  -1.012   0.536  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.715   1.504   2.096  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.638   3.422   0.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.392  -2.377   1.653  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.890  -0.696   1.965  1.00  0.00           H  
HETATM   50  H   UNL     1       3.474  -2.731  -2.567  1.00  0.00           H  
HETATM   51  H   UNL     1       3.250  -3.495  -0.975  1.00  0.00           H  
HETATM   52  H   UNL     1       4.610  -0.600  -2.774  1.00  0.00           H  
HETATM   53  H   UNL     1       1.865  -1.051  -1.866  1.00  0.00           H  
HETATM   54  H   UNL     1       1.289  -3.548  -2.726  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.207  -1.076  -2.753  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.934  -2.663  -3.256  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.128  -0.263  -0.424  1.00  0.00           H  
HETATM   58  H   UNL     1       0.478  -0.984  -0.150  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.040   4.703  -1.860  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.640   5.107  -1.195  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.231   4.990  -0.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.620   0.521  -2.012  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.317  -0.680  -1.845  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.349  -0.288  -0.449  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.343  -3.975   0.663  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.917  -3.172   0.430  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.019  -1.812  -1.383  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.610  -3.513  -1.717  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.471  -4.455  -1.278  1.00  0.00           H  
HETATM   70  H   UNL     1       0.449  -3.608   0.040  1.00  0.00           H  
HETATM   71  H   UNL     1       9.677   3.480   2.274  1.00  0.00           H  
HETATM   72  H   UNL     1       8.575   0.694  -0.759  1.00  0.00           H  
CONECT    1   38   38    2   40                                       
CONECT    2    4    4    1   41                                       
CONECT    3   39   39   38   42                                       
CONECT    4   39    5    2    2                                       
CONECT    5    6    4   16   16                                       
CONECT    6    7    7    5   43                                       
CONECT    7    6    6   14   44                                       
CONECT    8   30   26   26    9                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9   11   25                                       
CONECT   11   12   12   10   46                                       
CONECT   12   26   11   11   47                                       
CONECT   13   24   23   48   49                                       
CONECT   14    7   15   18   18                                       
CONECT   15   19   14   50   51                                       
CONECT   16    5    5   18   17                                       
CONECT   17   16                                                      
CONECT   18   14   14   16   52                                       
CONECT   19   20   15   53                                            
CONECT   20   37   19   21   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   36   37   23   21                                       
CONECT   23   13   22   57   58                                       
CONECT   24   35   25   13                                            
CONECT   25   10   34   34   24                                       
CONECT   25   33   33                                                 
CONECT   26   27    8    8   12                                       
CONECT   27   29   28   26                                            
CONECT   28   27   59   60   61                                       
CONECT   29   32   32   27   30                                       
CONECT   30   29   31    8                                            
CONECT   31   30   62   63   64                                       
CONECT   32   29   29                                                 
CONECT   33   25   25                                                 
CONECT   34   25   25                                                 
CONECT   35   24   36   65   66                                       
CONECT   36   35   22   67   68                                       
CONECT   37   20   22   69   70                                       
CONECT   38    3    1    1   71                                       
CONECT   39    3    3    4   72                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
