COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.851   0.804  -0.036  1.00  0.00           C  
HETATM    2  C   UNL     1       2.402   1.917  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1       1.054   2.018  -1.037  1.00  0.00           C  
HETATM    4  N   UNL     1       0.231   1.064  -0.626  1.00  0.00           N  
HETATM    5  N   UNL     1       1.970  -0.115   0.345  1.00  0.00           N  
HETATM    6  C   UNL     1       0.685   0.020   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.583  -1.787   0.029  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.776  -4.201  -0.270  1.00  0.00           C  
HETATM    9  C   UNL     1       7.094  -0.264  -3.013  1.00  0.00           C  
HETATM   10  C   UNL     1       5.901  -2.172  -1.928  1.00  0.00           C  
HETATM   11  C   UNL     1       4.180  -1.940   2.868  1.00  0.00           C  
HETATM   12  C   UNL     1       5.448  -2.470   2.716  1.00  0.00           C  
HETATM   13  C   UNL     1       3.761  -0.904   2.057  1.00  0.00           C  
HETATM   14  C   UNL     1       6.303  -1.962   1.755  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.128   0.503   0.328  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.769  -1.689  -0.153  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.811  -0.892  -0.943  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.518   5.180   1.845  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.092   4.242   1.096  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.598  -0.427  -1.811  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.950  -0.599   0.578  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.108  -0.716  -1.612  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.460  -0.889   0.776  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.458   2.923   0.954  1.00  0.00           C  
HETATM   25  C   UNL     1       4.617  -0.391   1.090  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.586  -0.772   0.275  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.491   0.685   0.141  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.408  -1.870   0.034  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.313  -0.415  -0.100  1.00  0.00           C  
HETATM   30  C   UNL     1       5.892  -0.922   0.944  1.00  0.00           C  
HETATM   31  C   UNL     1       6.177  -0.669  -1.857  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.040   1.974   0.195  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.207  -0.956   0.464  1.00  0.00           N  
HETATM   34  N   UNL     1       4.196   0.658   0.267  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.368  -1.083  -0.745  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.690  -0.232  -0.289  1.00  0.00           N  
HETATM   37  O   UNL     1      -2.408   2.689   1.522  1.00  0.00           O  
HETATM   38  O   UNL     1       6.972   1.128  -0.052  1.00  0.00           O  
HETATM   39  O   UNL     1       8.173  -1.034  -0.125  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.875  -3.121  -0.019  1.00  0.00           O  
HETATM   41  S   UNL     1       6.982  -0.275  -0.280  1.00  0.00           S  
HETATM   42 CL   UNL     1       3.514   3.145  -1.272  1.00  0.00          Cl  
HETATM   43  H   UNL     1       0.674   2.866  -1.589  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.653  -1.645  -0.119  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.326  -2.830  -0.156  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.318  -1.523   1.053  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.264  -4.050  -1.233  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.223  -5.140  -0.286  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.530  -4.236   0.517  1.00  0.00           H  
HETATM   50  H   UNL     1       6.610  -0.501  -3.961  1.00  0.00           H  
HETATM   51  H   UNL     1       7.290   0.807  -2.963  1.00  0.00           H  
HETATM   52  H   UNL     1       8.035  -0.810  -2.939  1.00  0.00           H  
HETATM   53  H   UNL     1       5.248  -2.461  -1.104  1.00  0.00           H  
HETATM   54  H   UNL     1       5.418  -2.409  -2.875  1.00  0.00           H  
HETATM   55  H   UNL     1       6.842  -2.718  -1.853  1.00  0.00           H  
HETATM   56  H   UNL     1       3.515  -2.339   3.620  1.00  0.00           H  
HETATM   57  H   UNL     1       5.772  -3.283   3.349  1.00  0.00           H  
HETATM   58  H   UNL     1       2.769  -0.493   2.173  1.00  0.00           H  
HETATM   59  H   UNL     1       7.293  -2.377   1.639  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.491   1.353   0.519  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.406  -2.541  -0.341  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.075  -1.156  -1.968  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.068   0.151  -0.759  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.983   6.148   1.949  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.586   4.971   2.349  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.024   4.451   0.591  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.768   0.649  -1.772  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.917  -0.811  -2.779  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.525  -1.110   1.351  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.123   0.475   0.644  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.934  -1.790  -1.678  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.533  -0.206  -2.385  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.141  -0.504   1.745  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.290  -1.965   0.738  1.00  0.00           H  
HETATM   75  H   UNL     1       5.236  -0.123  -1.931  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.839   2.182  -0.313  1.00  0.00           H  
HETATM   77  H   UNL     1       0.120  -1.767   0.883  1.00  0.00           H  
HETATM   78  H   UNL     1       4.845   1.283  -0.091  1.00  0.00           H  
CONECT    1   34    2    5    5                                       
CONECT    2   42    3    3    1                                       
CONECT    3    2    2    4   43                                       
CONECT    4    3    6    6                                            
CONECT    5    1    1    6                                            
CONECT    6    5    4    4   33                                       
CONECT    7   17   44   45   46                                       
CONECT    8   40   47   48   49                                       
CONECT    9   31   50   51   52                                       
CONECT   10   31   53   54   55                                       
CONECT   11   12   12   13   56                                       
CONECT   12   14   11   11   57                                       
CONECT   13   25   25   11   58                                       
CONECT   14   30   30   12   59                                       
CONECT   15   26   26   27   60                                       
CONECT   16   28   28   29   61                                       
CONECT   17   35    7   62   63                                       
CONECT   18   19   19   64   65                                       
CONECT   19   24   18   18   66                                       
CONECT   20   22   35   67   68                                       
CONECT   21   23   35   69   70                                       
CONECT   22   36   20   71   72                                       
CONECT   23   36   21   73   74                                       
CONECT   24   37   37   19   32                                       
CONECT   25   30   34   13   13                                       
CONECT   26   33   15   15   28                                       
CONECT   27   15   32   29   29                                       
CONECT   28   26   40   16   16                                       
CONECT   29   27   27   16   36                                       
CONECT   30   41   14   14   25                                       
CONECT   31   10    9   41   75                                       
CONECT   32   24   27   76                                            
CONECT   33    6   26   77                                            
CONECT   34   25    1   78                                            
CONECT   35   20   21   17                                            
CONECT   36   29   22   23                                            
CONECT   37   24   24                                                 
CONECT   38   41   41                                                 
CONECT   39   41   41                                                 
CONECT   40   28    8                                                 
CONECT   41   31   39   39   38                                       
CONECT   41   38   30                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
