COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.577  -0.459  -1.019  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.981  -0.446   0.229  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.759  -0.508   1.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.481  -0.363   0.346  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.064   1.084   0.398  1.00  0.00           C  
HETATM    6  C   UNL     1       0.049   1.757   1.544  1.00  0.00           C  
HETATM    7  C   UNL     1       0.589   3.082  -0.516  1.00  0.00           C  
HETATM    8  C   UNL     1       0.237   1.814  -0.739  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.951  -0.530  -1.129  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.134  -0.584   1.268  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.736  -0.586   0.016  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.127  -0.662  -0.092  1.00  0.00           N  
HETATM   13  S   UNL     1       0.554   3.409   1.211  1.00  0.00           S  
HETATM   14  N   UNL     1       0.131  -1.001  -0.820  1.00  0.00           N  
HETATM   15  C   UNL     1       1.404  -1.437  -0.771  1.00  0.00           C  
HETATM   16  C   UNL     1       2.138  -1.398   0.497  1.00  0.00           C  
HETATM   17  C   UNL     1       1.466  -1.199   1.647  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.034  -1.061   1.628  1.00  0.00           C  
HETATM   19  O   UNL     1       2.137  -1.123   2.818  1.00  0.00           O  
HETATM   20  O   UNL     1       1.943  -1.861  -1.776  1.00  0.00           O  
HETATM   21  S   UNL     1       3.887  -1.612   0.517  1.00  0.00           S  
HETATM   22  C   UNL     1       4.471  -0.180  -0.328  1.00  0.00           C  
HETATM   23  C   UNL     1       3.581   0.820  -0.700  1.00  0.00           C  
HETATM   24  C   UNL     1       4.042   1.941  -1.362  1.00  0.00           C  
HETATM   25  C   UNL     1       5.388   2.069  -1.655  1.00  0.00           C  
HETATM   26  C   UNL     1       6.277   1.076  -1.286  1.00  0.00           C  
HETATM   27  C   UNL     1       5.825  -0.046  -0.619  1.00  0.00           C  
HETATM   28 CL   UNL     1       6.942  -1.289  -0.151  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -6.548  -0.650  -1.501  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.070  -0.795  -1.574  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.681   0.254  -0.818  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.294   0.271   0.559  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.774   0.427   0.654  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.966  -0.411  -1.908  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.291  -0.498   2.344  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.141   1.350   2.526  1.00  0.00           H  
HETATM   37  H   UNL     1       0.857   3.796  -1.280  1.00  0.00           H  
HETATM   38  H   UNL     1       0.190   1.390  -1.731  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.416  -0.540  -2.104  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.741  -0.633   2.160  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.384  -1.112  -1.634  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.354  -0.475   2.489  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.488  -2.051   1.678  1.00  0.00           H  
HETATM   44  H   UNL     1       2.530   0.721  -0.473  1.00  0.00           H  
HETATM   45  H   UNL     1       3.351   2.719  -1.652  1.00  0.00           H  
HETATM   46  H   UNL     1       5.745   2.947  -2.173  1.00  0.00           H  
HETATM   47  H   UNL     1       7.327   1.179  -1.517  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.249   0.292  -1.962  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.076  -1.479  -2.028  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.392  -0.729  -2.614  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.364  -1.761  -1.163  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.778   1.108   1.063  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.594  -0.663   1.033  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.468   0.383   1.700  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.479   1.385   0.228  1.00  0.00           H  
HETATM   56  H   UNL     1       3.099  -1.145   2.722  1.00  0.00           H  
CONECT    1    9    9    2   34                                       
CONECT    2    3    3    1    4                                       
CONECT    3   10    2    2   35                                       
CONECT    4    2   18   14    5                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5   13   36                                       
CONECT    7    8    8   13   37                                       
CONECT    8    5    7    7   38                                       
CONECT    9   11    1    1   39                                       
CONECT   10   11   11    3   40                                       
CONECT   11   12   10   10    9                                       
CONECT   12   29   33   11                                            
CONECT   13    6    7                                                 
CONECT   14    4   15   41                                            
CONECT   15   14   16   20   20                                       
CONECT   16   17   17   15   21                                       
CONECT   17   18   19   16   16                                       
CONECT   18    4   17   42   43                                       
CONECT   19   17   56                                                 
CONECT   20   15   15                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   44                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   27   27   25   47                                       
CONECT   27   22   28   26   26                                       
CONECT   28   27                                                      
CONECT   29   30   12   48   49                                       
CONECT   30   31   29   50   51                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   52   53                                       
CONECT   33   32   12   54   55                                       
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   19                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
