COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.636  -0.817   4.188  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.800   0.260   3.374  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.472   0.691   6.094  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.650   1.779   5.222  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.809   1.555   3.890  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.463  -0.625   5.570  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.069   0.046   9.998  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.286  -1.713   6.441  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.305   0.883   7.476  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.127  -1.489   7.774  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.136  -0.194   8.291  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.010   0.015   1.641  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.671   1.178   1.164  1.00  0.00           O  
HETATM   14  C   UNL     1       1.757   1.035  -0.856  1.00  0.00           C  
HETATM   15  O   UNL     1       2.105   1.987  -1.522  1.00  0.00           O  
HETATM   16  C   UNL     1       1.096   1.290   0.470  1.00  0.00           C  
HETATM   17  N   UNL     1       0.495   0.038   0.952  1.00  0.00           N  
HETATM   18  C   UNL     1       1.531  -1.420  -0.694  1.00  0.00           C  
HETATM   19  C   UNL     1       1.286  -1.193   0.798  1.00  0.00           C  
HETATM   20  N   UNL     1       1.971  -0.189  -1.338  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.481  -1.317   1.494  1.00  0.00           O  
HETATM   22  C   UNL     1       2.706  -0.306  -2.600  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.875  -0.921  -6.831  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.062  -0.115  -4.613  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.986  -0.051  -5.652  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.979  -1.021  -5.787  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.174   1.041  -4.766  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.946   0.987  -6.581  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.255  -1.318  -4.840  1.00  0.00           C  
HETATM   30  C   UNL     1       1.723  -0.237  -3.771  1.00  0.00           C  
HETATM   31  C   UNL     1       2.486  -0.222  -5.070  1.00  0.00           C  
HETATM   32  N   UNL     1       3.765  -0.217  -5.061  1.00  0.00           N  
HETATM   33  O   UNL     1       4.482  -0.203  -6.282  1.00  0.00           O  
HETATM   34  C   UNL     1       0.879   1.035  -3.657  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.801   0.074  -7.694  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.875   1.011  -7.600  1.00  0.00           C  
HETATM   37  C   UNL     1       0.793  -1.454  -3.735  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.635  -1.815   3.775  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.658   2.788   5.608  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.945   2.392   3.222  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.277  -2.721   6.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.310   1.881   7.890  1.00  0.00           H  
HETATM   43  H   UNL     1       0.008  -2.328   8.441  1.00  0.00           H  
HETATM   44  H   UNL     1       0.320   2.047   0.354  1.00  0.00           H  
HETATM   45  H   UNL     1       1.843   1.636   1.185  1.00  0.00           H  
HETATM   46  H   UNL     1       0.607  -1.759  -1.162  1.00  0.00           H  
HETATM   47  H   UNL     1       2.298  -2.184  -0.820  1.00  0.00           H  
HETATM   48  H   UNL     1       0.736  -2.038   1.212  1.00  0.00           H  
HETATM   49  H   UNL     1       2.240  -1.085   1.315  1.00  0.00           H  
HETATM   50  H   UNL     1       3.235  -1.259  -2.626  1.00  0.00           H  
HETATM   51  H   UNL     1       3.423   0.510  -2.680  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.648  -1.667  -6.943  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.046  -1.838  -5.085  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.760   1.958  -4.705  1.00  0.00           H  
HETATM   55  H   UNL     1       0.319   0.992  -5.736  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.192   1.757  -6.510  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.902  -2.196  -4.835  1.00  0.00           H  
HETATM   58  H   UNL     1       0.243  -1.243  -5.806  1.00  0.00           H  
HETATM   59  H   UNL     1       1.952  -0.216  -6.009  1.00  0.00           H  
HETATM   60  H   UNL     1       5.422  -0.200  -6.055  1.00  0.00           H  
HETATM   61  H   UNL     1       0.385   1.059  -2.685  1.00  0.00           H  
HETATM   62  H   UNL     1       1.522   1.909  -3.761  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.849   1.809  -8.327  1.00  0.00           H  
HETATM   64  H   UNL     1       1.376  -2.362  -3.896  1.00  0.00           H  
HETATM   65  H   UNL     1       0.297  -1.506  -2.766  1.00  0.00           H  
CONECT    1    2    6    6   38                                       
CONECT    2    1    5    5   12                                       
CONECT    3    4    4    6    9                                       
CONECT    4    3    3    5   39                                       
CONECT    5    2    2    4   40                                       
CONECT    6    1    1    3    8                                       
CONECT    7   11                                                      
CONECT    8    6   10   10   41                                       
CONECT    9    3   11   11   42                                       
CONECT   10    8    8   11   43                                       
CONECT   11    7    9    9   10                                       
CONECT   12    2   13   13   17                                       
CONECT   12   21   21                                                 
CONECT   13   12   12                                                 
CONECT   14   15   15   16   20                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   44   45                                       
CONECT   17   12   16   19                                            
CONECT   18   19   20   46   47                                       
CONECT   19   17   18   48   49                                       
CONECT   20   14   18   22                                            
CONECT   21   12   12                                                 
CONECT   22   20   30   50   51                                       
CONECT   23   26   26   35   52                                       
CONECT   24   25   27   29                                            
CONECT   25   24   26   28   28                                       
CONECT   26   23   23   25   53                                       
CONECT   27   24   34   54   55                                       
CONECT   28   25   25   36   56                                       
CONECT   29   24   37   57   58                                       
CONECT   30   22   31   34   37                                       
CONECT   31   30   32   32   59                                       
CONECT   32   31   31   33                                            
CONECT   33   32   60                                                 
CONECT   34   27   30   61   62                                       
CONECT   35   23   36   36                                            
CONECT   36   28   35   35   63                                       
CONECT   37   29   30   64   65                                       
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
