COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.761   0.101   4.192  1.00  0.00           C  
HETATM    2  C   UNL     1       0.674  -0.839   3.212  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.379  -0.664   5.068  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.430  -1.627   4.045  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.417  -1.703   3.141  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.269   0.213   5.141  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.593   0.518   8.173  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.216   1.175   6.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.406  -0.556   6.021  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.230   1.252   7.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.322   0.388   6.998  1.00  0.00           C  
HETATM   12  S   UNL     1       1.965  -0.972   2.020  1.00  0.00           S  
HETATM   13  O   UNL     1       1.819  -2.258   1.435  1.00  0.00           O  
HETATM   14  O   UNL     1       3.136  -0.489   2.663  1.00  0.00           O  
HETATM   15  C   UNL     1       2.333   2.117  -0.401  1.00  0.00           C  
HETATM   16  O   UNL     1       2.749   3.255  -0.469  1.00  0.00           O  
HETATM   17  C   UNL     1       2.081   1.496   0.947  1.00  0.00           C  
HETATM   18  N   UNL     1       1.636   0.111   0.811  1.00  0.00           N  
HETATM   19  C   UNL     1       1.749   0.001  -1.610  1.00  0.00           C  
HETATM   20  C   UNL     1       3.017  -0.855  -1.624  1.00  0.00           C  
HETATM   21  O   UNL     1       2.658  -2.237  -1.668  1.00  0.00           O  
HETATM   22  C   UNL     1       3.878  -2.981  -1.659  1.00  0.00           C  
HETATM   23  C   UNL     1       0.902  -0.335  -0.378  1.00  0.00           C  
HETATM   24  N   UNL     1       2.105   1.430  -1.521  1.00  0.00           N  
HETATM   25  C   UNL     1       2.092   1.900  -2.920  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.405  -0.993  -5.681  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.299   0.937  -5.352  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.358   0.222  -5.903  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.369  -0.296  -5.095  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.089   0.139  -5.579  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.433   0.001  -7.279  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.529   0.981  -3.904  1.00  0.00           C  
HETATM   33  C   UNL     1       0.927   1.067  -3.502  1.00  0.00           C  
HETATM   34  O   UNL     1       1.002  -0.211  -2.813  1.00  0.00           O  
HETATM   35  C   UNL     1       1.125   0.870  -5.001  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.440  -1.181  -6.988  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.499  -0.711  -7.786  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.400   1.762  -3.226  1.00  0.00           C  
HETATM   39  H   UNL     1       1.615   0.760   4.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.270  -2.302   3.977  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.459  -2.443   2.356  1.00  0.00           H  
HETATM   42  H   UNL     1       0.622   1.851   6.230  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.258  -1.218   5.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.187   1.992   7.854  1.00  0.00           H  
HETATM   45  H   UNL     1       1.313   2.070   1.467  1.00  0.00           H  
HETATM   46  H   UNL     1       3.001   1.521   1.531  1.00  0.00           H  
HETATM   47  H   UNL     1       3.615  -0.606  -2.501  1.00  0.00           H  
HETATM   48  H   UNL     1       3.597  -0.659  -0.722  1.00  0.00           H  
HETATM   49  H   UNL     1       3.653  -4.048  -1.653  1.00  0.00           H  
HETATM   50  H   UNL     1       4.459  -2.738  -2.549  1.00  0.00           H  
HETATM   51  H   UNL     1       4.452  -2.726  -0.769  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.055   0.183  -0.437  1.00  0.00           H  
HETATM   53  H   UNL     1       0.736  -1.411  -0.327  1.00  0.00           H  
HETATM   54  H   UNL     1       1.876   2.967  -2.974  1.00  0.00           H  
HETATM   55  H   UNL     1       3.031   1.666  -3.422  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.194  -1.395  -5.064  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.346  -0.147  -4.026  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.196  -0.829  -5.091  1.00  0.00           H  
HETATM   59  H   UNL     1       0.052  -0.007  -6.650  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.668   0.384  -7.937  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.555  -0.034  -3.509  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.482   1.471  -3.703  1.00  0.00           H  
HETATM   63  H   UNL     1       1.230   1.841  -5.485  1.00  0.00           H  
HETATM   64  H   UNL     1       2.023   0.277  -5.175  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.566  -0.886  -8.849  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.576   1.797  -2.151  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.370   2.777  -3.624  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    5   12                                       
CONECT    3    4    6    6    9                                       
CONECT    4    3    5    5   40                                       
CONECT    5    2    4    4   41                                       
CONECT    6    1    3    3    8                                       
CONECT    7   11                                                      
CONECT    8    6   10   10   42                                       
CONECT    9    3   11   11   43                                       
CONECT   10    8    8   11   44                                       
CONECT   11    7    9    9   10                                       
CONECT   12    2   13   13   14                                       
CONECT   12   14   18                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   16   17   24                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   45   46                                       
CONECT   18   12   17   23                                            
CONECT   19   20   23   24   34                                       
CONECT   20   19   21   47   48                                       
CONECT   21   20   22                                                 
CONECT   22   21   49   50   51                                       
CONECT   23   18   19   52   53                                       
CONECT   24   15   19   25                                            
CONECT   25   24   33   54   55                                       
CONECT   26   29   29   36   56                                       
CONECT   27   28   30   32                                            
CONECT   28   27   29   31   31                                       
CONECT   29   26   26   28   57                                       
CONECT   30   27   35   58   59                                       
CONECT   31   28   28   37   60                                       
CONECT   32   27   38   61   62                                       
CONECT   33   25   34   35   38                                       
CONECT   34   19   33                                                 
CONECT   35   30   33   63   64                                       
CONECT   36   26   37   37                                            
CONECT   37   31   36   36   65                                       
CONECT   38   32   33   66   67                                       
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
