COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.102   0.585   0.887  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.286   2.874  -1.475  1.00  0.00           N  
HETATM    3  C   UNL     1       2.050  -0.515   1.599  1.00  0.00           C  
HETATM    4  C   UNL     1       1.137   0.445   0.881  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.926   0.919  -0.201  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.459   2.004  -0.915  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.591   2.770  -1.393  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.564   1.555  -0.580  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.881  -0.324   0.631  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.284  -0.692  -1.183  1.00  0.00           C  
HETATM   11  C   UNL     1       1.513  -2.633   0.410  1.00  0.00           C  
HETATM   12  C   UNL     1       3.991  -2.718  -0.795  1.00  0.00           C  
HETATM   13  C   UNL     1       3.678  -1.675   0.063  1.00  0.00           C  
HETATM   14  C   UNL     1       4.719  -0.615   0.313  1.00  0.00           C  
HETATM   15 CL   UNL     1       0.664  -4.923  -0.757  1.00  0.00          Cl  
HETATM   16  C   UNL     1       1.826  -3.673  -0.444  1.00  0.00           C  
HETATM   17  C   UNL     1       3.070  -3.714  -1.049  1.00  0.00           C  
HETATM   18  C   UNL     1       5.120   1.589   1.225  1.00  0.00           C  
HETATM   19  C   UNL     1       5.771   2.090  -0.039  1.00  0.00           C  
HETATM   20  O   UNL     1       5.421   1.653  -1.115  1.00  0.00           O  
HETATM   21  N   UNL     1       6.741   3.023   0.026  1.00  0.00           N  
HETATM   22  C   UNL     1       7.373   3.510  -1.202  1.00  0.00           C  
HETATM   23  C   UNL     1       2.438  -1.632   0.664  1.00  0.00           C  
HETATM   24  C   UNL     1       3.299   0.230   2.068  1.00  0.00           C  
HETATM   25  O   UNL     1       1.460   1.607   0.750  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.039   0.013   0.383  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.322   0.748  -0.075  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.172   1.703  -0.690  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.237  -0.436   0.718  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.074   0.500   0.115  1.00  0.00           C  
HETATM   31  S   UNL     1      -6.821   0.316   0.252  1.00  0.00           S  
HETATM   32  O   UNL     1      -7.324   1.638   0.117  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.002  -0.417   1.456  1.00  0.00           O  
HETATM   34  H   UNL     1       1.531  -0.930   2.463  1.00  0.00           H  
HETATM   35  H   UNL     1       0.607   2.146  -1.019  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.221   3.508  -1.869  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.226   2.273  -1.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.243  -1.057   1.103  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.769  -1.651  -1.135  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.362  -0.857  -1.178  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.001  -0.172  -2.099  1.00  0.00           H  
HETATM   42  H   UNL     1       0.542  -2.600   0.883  1.00  0.00           H  
HETATM   43  H   UNL     1       4.962  -2.752  -1.267  1.00  0.00           H  
HETATM   44  H   UNL     1       5.202  -0.356  -0.629  1.00  0.00           H  
HETATM   45  H   UNL     1       5.467  -1.002   1.006  1.00  0.00           H  
HETATM   46  H   UNL     1       3.319  -4.524  -1.719  1.00  0.00           H  
HETATM   47  H   UNL     1       4.649   2.423   1.746  1.00  0.00           H  
HETATM   48  H   UNL     1       5.876   1.139   1.868  1.00  0.00           H  
HETATM   49  H   UNL     1       7.020   3.373   0.887  1.00  0.00           H  
HETATM   50  H   UNL     1       7.844   2.676  -1.723  1.00  0.00           H  
HETATM   51  H   UNL     1       6.618   3.960  -1.846  1.00  0.00           H  
HETATM   52  H   UNL     1       8.128   4.255  -0.952  1.00  0.00           H  
HETATM   53  H   UNL     1       3.883  -0.412   2.728  1.00  0.00           H  
HETATM   54  H   UNL     1       3.008   1.137   2.598  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.269  -0.929   0.430  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.668  -1.263   1.262  1.00  0.00           H  
CONECT    1   24   18   14                                            
CONECT    2    7    6    6                                            
CONECT    3    4   24   23   34                                       
CONECT    4   26    3   25   25                                       
CONECT    5   27   27    6   26                                       
CONECT    6    2    2    5   35                                       
CONECT    7   28   28    2   36                                       
CONECT    8   30   30   28   37                                       
CONECT    9   29   29   27   38                                       
CONECT   10   31   39   40   41                                       
CONECT   11   23   23   16   42                                       
CONECT   12   13   13   17   43                                       
CONECT   13   23   14   12   12                                       
CONECT   14    1   13   44   45                                       
CONECT   15   16                                                      
CONECT   16   11   15   17   17                                       
CONECT   17   16   16   12   46                                       
CONECT   18    1   19   47   48                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   49                                            
CONECT   22   21   50   51   52                                       
CONECT   23    3   11   11   13                                       
CONECT   24    3    1   53   54                                       
CONECT   25    4    4                                                 
CONECT   26    5    4   55                                            
CONECT   27   28    9    5    5                                       
CONECT   28    8    7    7   27                                       
CONECT   29   30    9    9   56                                       
CONECT   30   31    8    8   29                                       
CONECT   31   32   32   33   33                                       
CONECT   31   30   10                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
