COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.270  -2.167   1.036  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.551  -1.927   1.841  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.374  -0.903   1.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.528   0.390   1.149  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.531  -1.038   1.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.352  -0.097   2.053  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.041  -1.066   2.914  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.911  -3.379   0.280  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.207  -0.771   0.578  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.816  -4.153   0.674  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.485  -5.287  -0.036  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.237  -5.660  -1.143  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.326  -4.894  -1.538  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.669  -3.763  -0.831  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.060  -0.688  -0.810  1.00  0.00           C  
HETATM   16  C   UNL     1       1.180  -0.438  -1.356  1.00  0.00           C  
HETATM   17  C   UNL     1       2.283  -0.269  -0.530  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.350   0.850  1.00  0.00           C  
HETATM   19  C   UNL     1       0.906  -0.593   1.405  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.907  -6.778  -1.840  1.00  0.00           O  
HETATM   21  O   UNL     1       3.504  -0.023  -1.073  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.430   2.567  -0.074  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.078   1.865  -1.217  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.813   2.547  -2.391  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.898   3.928  -2.424  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.248   4.628  -1.285  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.514   3.952  -0.111  1.00  0.00           C  
HETATM   28 CL   UNL     1      -4.373   1.670  -3.823  1.00  0.00          Cl  
HETATM   29  S   UNL     1      -4.480   1.696   1.972  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.021   1.222   3.198  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.787   2.935   1.907  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.696   1.900   1.079  1.00  0.00           O  
HETATM   33  C   UNL     1       4.597   0.141  -0.167  1.00  0.00           C  
HETATM   34  C   UNL     1       5.879   0.408  -0.956  1.00  0.00           C  
HETATM   35  C   UNL     1       7.049   0.584   0.014  1.00  0.00           C  
HETATM   36  C   UNL     1       8.332   0.851  -0.776  1.00  0.00           C  
HETATM   37  C   UNL     1       9.501   1.026   0.195  1.00  0.00           C  
HETATM   38  H   UNL     1      -4.089  -2.823   2.150  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.431  -1.212  -0.044  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.371  -0.766   1.419  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.160   0.729   0.181  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.789   0.689   2.557  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.230  -3.863   1.533  1.00  0.00           H  
HETATM   44  H   UNL     1       0.361  -5.885   0.267  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.908  -5.188  -2.399  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.519  -3.170  -1.136  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.918  -0.820  -1.453  1.00  0.00           H  
HETATM   48  H   UNL     1       1.294  -0.375  -2.428  1.00  0.00           H  
HETATM   49  H   UNL     1       3.004  -0.218   1.488  1.00  0.00           H  
HETATM   50  H   UNL     1       0.797  -0.652   2.478  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.338  -7.583  -1.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.011   0.788  -1.191  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.691   4.459  -3.342  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.313   5.706  -1.313  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.788   4.500   0.779  1.00  0.00           H  
HETATM   56  H   UNL     1       4.396   0.984   0.495  1.00  0.00           H  
HETATM   57  H   UNL     1       4.717  -0.766   0.426  1.00  0.00           H  
HETATM   58  H   UNL     1       6.080  -0.435  -1.618  1.00  0.00           H  
HETATM   59  H   UNL     1       5.759   1.315  -1.549  1.00  0.00           H  
HETATM   60  H   UNL     1       6.848   1.426   0.676  1.00  0.00           H  
HETATM   61  H   UNL     1       7.169  -0.323   0.607  1.00  0.00           H  
HETATM   62  H   UNL     1       8.533   0.008  -1.438  1.00  0.00           H  
HETATM   63  H   UNL     1       8.212   1.758  -1.368  1.00  0.00           H  
HETATM   64  H   UNL     1       9.300   1.869   0.857  1.00  0.00           H  
HETATM   65  H   UNL     1       9.621   0.119   0.787  1.00  0.00           H  
HETATM   66  C   UNL     1      10.784   1.293  -0.595  1.00  0.00           C  
HETATM   67  C   UNL     1      11.936   1.467   0.361  1.00  0.00           C  
HETATM   68  O   UNL     1      11.750   1.385   1.552  1.00  0.00           O  
HETATM   69  O   UNL     1      13.168   1.712  -0.111  1.00  0.00           O  
HETATM   70  H   UNL     1      10.985   0.451  -1.257  1.00  0.00           H  
HETATM   71  H   UNL     1      10.664   2.200  -1.188  1.00  0.00           H  
HETATM   72  H   UNL     1      13.875   1.815   0.541  1.00  0.00           H  
CONECT    1    2    5    5    8                                       
CONECT    2    1    3    7   38                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    6   29   41                                       
CONECT    5    1    1    6    9                                       
CONECT    6    4    5    7   42                                       
CONECT    7    2    6                                                 
CONECT    8    1   10   10   14                                       
CONECT    9    5   15   15   19                                       
CONECT   10    8    8   11   43                                       
CONECT   11   10   12   12   44                                       
CONECT   12   11   11   13   20                                       
CONECT   13   12   14   14   45                                       
CONECT   14    8   13   13   46                                       
CONECT   15    9    9   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   19   49                                       
CONECT   19    9   18   18   50                                       
CONECT   20   12   51                                                 
CONECT   21   17   33                                                 
CONECT   22   23   23   27   32                                       
CONECT   23   22   22   24   52                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   22   26   26   55                                       
CONECT   28   24                                                      
CONECT   29    4   30   30   31                                       
CONECT   29   31   32                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   22   29                                                 
CONECT   33   21   34   56   57                                       
CONECT   34   33   35   58   59                                       
CONECT   35   34   36   60   61                                       
CONECT   36   35   37   62   63                                       
CONECT   37   36   64   65   66                                       
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37   67   70   71                                       
CONECT   67   66   68   68   69                                       
CONECT   68   67   67                                                 
CONECT   69   67   72                                                 
CONECT   70   66                                                      
CONECT   71   66                                                      
CONECT   72   69                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
