COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.178   0.088   2.372  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.524   0.109   1.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.165   0.644  -0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.544   0.658  -1.322  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.138   1.144  -2.269  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.314   0.149  -1.510  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.713   0.188  -2.846  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.609  -0.408  -0.464  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.338  -0.932  -0.659  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.183  -0.442   0.822  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.473  -1.005   1.890  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.228  -1.520   1.681  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.652  -1.486   0.410  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.375  -2.013   0.214  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.255  -3.090  -0.563  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.264  -3.579  -1.025  1.00  0.00           O  
HETATM   17  C   UNL     1       1.062  -3.730  -0.896  1.00  0.00           C  
HETATM   18  C   UNL     1       2.132  -3.266   0.094  1.00  0.00           C  
HETATM   19  C   UNL     1       2.064  -1.738   0.201  1.00  0.00           C  
HETATM   20  N   UNL     1       3.187  -1.250   1.006  1.00  0.00           N  
HETATM   21  S   UNL     1       4.577  -0.740   0.266  1.00  0.00           S  
HETATM   22  O   UNL     1       5.431  -0.372   1.340  1.00  0.00           O  
HETATM   23  O   UNL     1       4.919  -1.805  -0.610  1.00  0.00           O  
HETATM   24  C   UNL     1       4.075   0.725  -0.679  1.00  0.00           C  
HETATM   25  C   UNL     1       5.288   1.296  -1.417  1.00  0.00           C  
HETATM   26  C   UNL     1       4.842   2.455  -2.311  1.00  0.00           C  
HETATM   27  C   UNL     1       6.313   1.802  -0.400  1.00  0.00           C  
HETATM   28  C   UNL     1       0.746  -1.348   0.867  1.00  0.00           C  
HETATM   29  C   UNL     1       0.566   0.146   0.780  1.00  0.00           C  
HETATM   30  C   UNL     1       0.692   0.924   1.916  1.00  0.00           C  
HETATM   31  C   UNL     1       0.527   2.294   1.837  1.00  0.00           C  
HETATM   32  C   UNL     1       0.236   2.886   0.621  1.00  0.00           C  
HETATM   33 CL   UNL     1       0.029   4.607   0.521  1.00  0.00          Cl  
HETATM   34  C   UNL     1       0.110   2.107  -0.515  1.00  0.00           C  
HETATM   35  C   UNL     1       0.281   0.737  -0.436  1.00  0.00           C  
HETATM   36  H   UNL     1      -7.165   0.546   2.307  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.277  -0.943   2.712  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.564   0.646   3.079  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.154   1.061   0.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.406   0.660  -3.542  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.787   0.761  -2.811  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.500  -0.828  -3.178  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.886  -0.909  -1.640  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.911  -1.032   2.877  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.681  -1.954   2.505  1.00  0.00           H  
HETATM   46  H   UNL     1       0.962  -4.814  -0.840  1.00  0.00           H  
HETATM   47  H   UNL     1       1.357  -3.445  -1.906  1.00  0.00           H  
HETATM   48  H   UNL     1       1.942  -3.710   1.071  1.00  0.00           H  
HETATM   49  H   UNL     1       3.118  -3.566  -0.260  1.00  0.00           H  
HETATM   50  H   UNL     1       2.109  -1.299  -0.796  1.00  0.00           H  
HETATM   51  H   UNL     1       3.115  -1.227   1.973  1.00  0.00           H  
HETATM   52  H   UNL     1       3.308   0.446  -1.401  1.00  0.00           H  
HETATM   53  H   UNL     1       3.677   1.477   0.002  1.00  0.00           H  
HETATM   54  H   UNL     1       5.739   0.516  -2.031  1.00  0.00           H  
HETATM   55  H   UNL     1       4.390   3.234  -1.697  1.00  0.00           H  
HETATM   56  H   UNL     1       5.706   2.861  -2.837  1.00  0.00           H  
HETATM   57  H   UNL     1       4.112   2.094  -3.036  1.00  0.00           H  
HETATM   58  H   UNL     1       7.176   2.208  -0.926  1.00  0.00           H  
HETATM   59  H   UNL     1       5.861   2.581   0.214  1.00  0.00           H  
HETATM   60  H   UNL     1       6.630   0.976   0.237  1.00  0.00           H  
HETATM   61  H   UNL     1       0.770  -1.648   1.915  1.00  0.00           H  
HETATM   62  H   UNL     1       0.919   0.461   2.865  1.00  0.00           H  
HETATM   63  H   UNL     1       0.625   2.902   2.724  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.117   2.569  -1.464  1.00  0.00           H  
HETATM   65  H   UNL     1       0.187   0.129  -1.324  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2   10    3    3    1                                       
CONECT    3    4    2    2   39                                       
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    8    4                                            
CONECT    7    6   40   41   42                                       
CONECT    8    9    6   10   10                                       
CONECT    9   13   13    8   43                                       
CONECT   10    8    8   11    2                                       
CONECT   11   12   12   10   44                                       
CONECT   12   13   11   11   45                                       
CONECT   13   14    9    9   12                                       
CONECT   14   28   15   13                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   46   47                                       
CONECT   18   19   17   48   49                                       
CONECT   19   20   18   28   50                                       
CONECT   20   21   19   51                                            
CONECT   21   24   22   22   23                                       
CONECT   21   23   20                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21   52   53                                       
CONECT   25   27   26   24   54                                       
CONECT   26   25   55   56   57                                       
CONECT   27   25   58   59   60                                       
CONECT   28   19   29   14   61                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   62                                       
CONECT   31   30   32   32   63                                       
CONECT   32   31   31   34   33                                       
CONECT   33   32                                                      
CONECT   34   35   35   32   64                                       
CONECT   35   29   34   34   65                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
