COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.582  -0.442  -4.412  1.00  0.00           C  
HETATM    2  C   UNL     1       0.573  -0.935  -3.643  1.00  0.00           C  
HETATM    3  C   UNL     1       0.137  -0.625  -6.365  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.880  -1.131  -5.539  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.654  -1.278  -4.204  1.00  0.00           C  
HETATM    6  C   UNL     1       1.386  -0.276  -5.793  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.703   0.238 -10.222  1.00  0.00          Cl  
HETATM    8  C   UNL     1       2.405   0.229  -6.619  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.061  -0.453  -7.745  1.00  0.00           C  
HETATM   10  C   UNL     1       2.179   0.377  -7.953  1.00  0.00           C  
HETATM   11  C   UNL     1       0.950   0.034  -8.516  1.00  0.00           C  
HETATM   12  S   UNL     1       0.823  -1.142  -1.911  1.00  0.00           S  
HETATM   13  O   UNL     1      -0.124  -2.117  -1.498  1.00  0.00           O  
HETATM   14  C   UNL     1       1.123   1.912   0.435  1.00  0.00           C  
HETATM   15  O   UNL     1       1.965   2.654   0.893  1.00  0.00           O  
HETATM   16  C   UNL     1       1.331   1.355  -0.943  1.00  0.00           C  
HETATM   17  N   UNL     1       0.369   0.268  -1.173  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.988   0.682   0.802  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.324   1.213   1.254  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.530   2.408   1.263  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.290   0.360   1.649  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.561   0.850   2.210  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.707   0.100   1.523  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.521  -1.305   1.680  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.118  -1.097   1.529  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.384  -1.683   0.905  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.014   0.481  -0.714  1.00  0.00           C  
HETATM   28  N   UNL     1       0.055   1.624   1.181  1.00  0.00           N  
HETATM   29  O   UNL     1       2.230  -1.235  -1.733  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.076   2.304   2.472  1.00  0.00           C  
HETATM   31  C   UNL     1       1.786  -2.524   8.370  1.00  0.00           C  
HETATM   32  N   UNL     1       0.703   0.118   6.063  1.00  0.00           N  
HETATM   33  C   UNL     1       1.408  -0.570   7.046  1.00  0.00           C  
HETATM   34  C   UNL     1       1.062  -1.876   7.392  1.00  0.00           C  
HETATM   35  C   UNL     1       1.320   1.443   5.952  1.00  0.00           C  
HETATM   36  C   UNL     1       2.482   0.025   7.706  1.00  0.00           C  
HETATM   37  C   UNL     1       0.947  -0.584   4.799  1.00  0.00           C  
HETATM   38  C   UNL     1       0.736   1.553   3.528  1.00  0.00           C  
HETATM   39  C   UNL     1       0.600   2.262   4.879  1.00  0.00           C  
HETATM   40  N   UNL     1       2.793  -1.923   8.977  1.00  0.00           N  
HETATM   41  C   UNL     1       3.151  -0.688   8.678  1.00  0.00           C  
HETATM   42  C   UNL     1       0.206   0.122   3.662  1.00  0.00           C  
HETATM   43  H   UNL     1       2.529  -0.181  -3.963  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.837  -1.401  -5.960  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.439  -1.667  -3.572  1.00  0.00           H  
HETATM   46  H   UNL     1       3.362   0.499  -6.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.009  -0.711  -8.193  1.00  0.00           H  
HETATM   48  H   UNL     1       2.964   0.766  -8.585  1.00  0.00           H  
HETATM   49  H   UNL     1       2.347   0.972  -1.032  1.00  0.00           H  
HETATM   50  H   UNL     1       1.169   2.140  -1.681  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.800  -0.275   1.287  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.587   0.659   3.283  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.657   1.919   2.024  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.655   0.393   1.974  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.718   0.348   0.461  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.259  -1.318   0.895  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.964  -1.526   2.520  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.307  -2.770   0.878  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.494  -1.302  -0.109  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.428   1.367  -1.195  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.621  -0.389  -0.959  1.00  0.00           H  
HETATM   62  H   UNL     1       0.295   3.325   2.385  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.125   2.323   2.767  1.00  0.00           H  
HETATM   64  H   UNL     1       1.525  -3.536   8.645  1.00  0.00           H  
HETATM   65  H   UNL     1       0.239  -2.374   6.900  1.00  0.00           H  
HETATM   66  H   UNL     1       2.370   1.333   5.680  1.00  0.00           H  
HETATM   67  H   UNL     1       1.248   1.958   6.910  1.00  0.00           H  
HETATM   68  H   UNL     1       2.780   1.035   7.466  1.00  0.00           H  
HETATM   69  H   UNL     1       2.016  -0.587   4.587  1.00  0.00           H  
HETATM   70  H   UNL     1       0.591  -1.611   4.880  1.00  0.00           H  
HETATM   71  H   UNL     1       1.785   1.529   3.233  1.00  0.00           H  
HETATM   72  H   UNL     1       1.047   3.254   4.817  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.455   2.353   5.138  1.00  0.00           H  
HETATM   74  H   UNL     1       3.981  -0.233   9.198  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.860   0.148   3.884  1.00  0.00           H  
HETATM   76  H   UNL     1       0.371  -0.415   2.729  1.00  0.00           H  
CONECT    1    2    6    6   43                                       
CONECT    2    1    5    5   12                                       
CONECT    3    4    4    6    9                                       
CONECT    4    3    3    5   44                                       
CONECT    5    2    2    4   45                                       
CONECT    6    1    1    3    8                                       
CONECT    7   11                                                      
CONECT    8    6   10   10   46                                       
CONECT    9    3   11   11   47                                       
CONECT   10    8    8   11   48                                       
CONECT   11    7    9    9   10                                       
CONECT   12    2   13   13   17                                       
CONECT   12   29   29                                                 
CONECT   13   12   12                                                 
CONECT   14   15   15   16   28                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   49   50                                       
CONECT   17   12   16   27                                            
CONECT   18   19   27   28   51                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   25                                            
CONECT   22   21   23   52   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   26                                                 
CONECT   25   21   26   56   57                                       
CONECT   26   24   25   58   59                                       
CONECT   27   17   18   60   61                                       
CONECT   28   14   18   30                                            
CONECT   29   12   12                                                 
CONECT   30   28   38   62   63                                       
CONECT   31   34   34   40   64                                       
CONECT   32   33   35   37                                            
CONECT   33   32   34   36   36                                       
CONECT   34   31   31   33   65                                       
CONECT   35   32   39   66   67                                       
CONECT   36   33   33   41   68                                       
CONECT   37   32   42   69   70                                       
CONECT   38   30   39   42   71                                       
CONECT   39   35   38   72   73                                       
CONECT   40   31   41   41                                            
CONECT   41   36   40   40   74                                       
CONECT   42   37   38   75   76                                       
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
