COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.942   1.538   0.180  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.088   0.476   0.083  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.530  -0.695   0.558  1.00  0.00           C  
HETATM    4  C   UNL     1       7.668  -0.909   0.543  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.147  -1.171  -1.246  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.646  -2.620  -1.419  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.350  -3.394  -1.776  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.568  -2.032   1.353  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.384   0.364   0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.177  -0.752   0.840  1.00  0.00           C  
HETATM   11  C   UNL     1       7.226   0.122  -0.264  1.00  0.00           C  
HETATM   12  C   UNL     1       5.811   0.118  -0.784  1.00  0.00           C  
HETATM   13  C   UNL     1       1.104  -0.178  -0.759  1.00  0.00           C  
HETATM   14  C   UNL     1       0.703  -2.652  -0.915  1.00  0.00           C  
HETATM   15  N   UNL     1       0.293  -1.237  -0.956  1.00  0.00           N  
HETATM   16  C   UNL     1       8.964  -0.902   1.025  1.00  0.00           C  
HETATM   17  C   UNL     1       9.817   0.137   0.700  1.00  0.00           C  
HETATM   18  C   UNL     1       9.374   1.167  -0.108  1.00  0.00           C  
HETATM   19  C   UNL     1       8.080   1.158  -0.594  1.00  0.00           C  
HETATM   20  O   UNL     1       4.608   0.234   1.594  1.00  0.00           O  
HETATM   21  S   UNL     1       4.732   0.980   0.391  1.00  0.00           S  
HETATM   22  O   UNL     1       5.033   2.369   0.419  1.00  0.00           O  
HETATM   23  N   UNL     1       3.227   0.902  -0.295  1.00  0.00           N  
HETATM   24  C   UNL     1       2.567  -0.394  -0.469  1.00  0.00           C  
HETATM   25  O   UNL     1       0.657   0.947  -0.815  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.870  -0.509  -0.101  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.250  -0.126   0.868  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.206  -0.342  -0.155  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.910   0.301   0.958  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.582  -3.032   1.463  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.295   1.595  -0.102  1.00  0.00           C  
HETATM   32 CL   UNL     1      -7.998   3.071  -0.686  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -5.323   2.411   0.037  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.144   0.520  -0.137  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.150  -1.566   0.710  1.00  0.00           H  
HETATM   36  H   UNL     1       7.001  -1.717   0.801  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.314  -0.609  -2.164  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.075  -2.994  -0.489  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.370  -2.684  -2.231  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.426  -4.441  -1.483  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.121  -3.303  -2.838  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.797  -2.370   0.660  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.123  -1.855   2.332  1.00  0.00           H  
HETATM   44  H   UNL     1       5.777   0.625  -1.748  1.00  0.00           H  
HETATM   45  H   UNL     1       5.471  -0.911  -0.903  1.00  0.00           H  
HETATM   46  H   UNL     1       0.685  -3.023   0.109  1.00  0.00           H  
HETATM   47  H   UNL     1       1.697  -2.772  -1.345  1.00  0.00           H  
HETATM   48  H   UNL     1       9.310  -1.707   1.656  1.00  0.00           H  
HETATM   49  H   UNL     1      10.829   0.142   1.077  1.00  0.00           H  
HETATM   50  H   UNL     1      10.040   1.979  -0.362  1.00  0.00           H  
HETATM   51  H   UNL     1       7.734   1.963  -1.225  1.00  0.00           H  
HETATM   52  H   UNL     1       2.782   1.715  -0.582  1.00  0.00           H  
HETATM   53  H   UNL     1       2.674  -0.981   0.444  1.00  0.00           H  
HETATM   54  H   UNL     1       3.028  -0.928  -1.300  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.703  -0.649  -0.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.524   1.311   1.096  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.753  -0.276   1.869  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.261  -3.884   1.788  1.00  0.00           H  
CONECT    1    9   31   31   33                                       
CONECT    2    3    3   31   34                                       
CONECT    3   10    2    2   35                                       
CONECT    4   16   11   11   36                                       
CONECT    5    6   26   15   37                                       
CONECT    6    7    5   38   39                                       
CONECT    7    6   14   40   41                                       
CONECT    8   30   10   42   43                                       
CONECT    9   29   10   10    1                                       
CONECT   10    8    9    9    3                                       
CONECT   11    4    4   19   12                                       
CONECT   12   21   11   44   45                                       
CONECT   13   15   25   25   24                                       
CONECT   14    7   15   46   47                                       
CONECT   15   14    5   13                                            
CONECT   16   17   17    4   48                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   19   19   50                                       
CONECT   19   18   18   11   51                                       
CONECT   20   21   21                                                 
CONECT   21   20   20   23   22                                       
CONECT   21   22   12                                                 
CONECT   22   21   21                                                 
CONECT   23   24   21   52                                            
CONECT   24   13   23   53   54                                       
CONECT   25   13   13                                                 
CONECT   26   27   27   28    5                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   55                                            
CONECT   29   28    9   56   57                                       
CONECT   30    8   58                                                 
CONECT   31    1    1    2   32                                       
CONECT   32   31                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
