COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.846  -1.832   0.125  1.00  0.00           C  
HETATM    2  C   UNL     1       2.493  -0.489   0.045  1.00  0.00           C  
HETATM    3  C   UNL     1       3.450   0.498   0.141  1.00  0.00           C  
HETATM    4  C   UNL     1       4.790   0.145   0.323  1.00  0.00           C  
HETATM    5  C   UNL     1       5.829   1.191   0.428  1.00  0.00           C  
HETATM    6  C   UNL     1       6.799   1.259   1.365  1.00  0.00           C  
HETATM    7  C   UNL     1       6.948   0.237   2.463  1.00  0.00           C  
HETATM    8  C   UNL     1       7.375   3.100   0.257  1.00  0.00           C  
HETATM    9  C   UNL     1       5.138  -1.201   0.400  1.00  0.00           C  
HETATM   10  C   UNL     1       4.167  -2.185   0.304  1.00  0.00           C  
HETATM   11  C   UNL     1       4.617  -3.621   0.388  1.00  0.00           C  
HETATM   12  C   UNL     1       3.435  -4.538   0.697  1.00  0.00           C  
HETATM   13  C   UNL     1       2.311  -4.229  -0.299  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.593   0.556   1.707  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.728  -0.082   0.619  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.570   1.048  -2.651  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366  -0.452  -2.990  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.138  -1.169  -1.861  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.183  -1.584  -0.771  1.00  0.00           C  
HETATM   20  C   UNL     1       1.742  -2.852   0.017  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.428   0.598   0.275  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.024   0.640   0.242  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.001   0.589   0.063  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.503   1.379   1.275  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.481   2.515   1.580  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.408   0.449   2.486  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.122   1.963   0.970  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.976  -0.450  -0.315  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.012   1.047  -2.087  1.00  0.00           C  
HETATM   30  F   UNL     1      -7.720  -1.479   0.536  1.00  0.00           F  
HETATM   31  F   UNL     1       3.095   1.799   0.061  1.00  0.00           F  
HETATM   32  N   UNL     1      -5.265  -0.072   0.397  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.120  -0.213  -1.329  1.00  0.00           N  
HETATM   34  N   UNL     1       0.815  -2.448  -1.043  1.00  0.00           N  
HETATM   35  N   UNL     1       7.602   2.292   1.238  1.00  0.00           N  
HETATM   36  O   UNL     1      -0.480   1.856  -3.827  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.313  -1.140   0.350  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.922  -1.498   0.292  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.428   1.748  -0.110  1.00  0.00           O  
HETATM   40  S   UNL     1       6.029   2.569  -0.652  1.00  0.00           S  
HETATM   41  H   UNL     1       1.457  -0.218  -0.095  1.00  0.00           H  
HETATM   42  H   UNL     1       7.667  -0.523   2.157  1.00  0.00           H  
HETATM   43  H   UNL     1       7.301   0.727   3.370  1.00  0.00           H  
HETATM   44  H   UNL     1       5.983  -0.232   2.656  1.00  0.00           H  
HETATM   45  H   UNL     1       7.957   3.983   0.039  1.00  0.00           H  
HETATM   46  H   UNL     1       6.172  -1.480   0.539  1.00  0.00           H  
HETATM   47  H   UNL     1       5.061  -3.915  -0.563  1.00  0.00           H  
HETATM   48  H   UNL     1       5.363  -3.718   1.177  1.00  0.00           H  
HETATM   49  H   UNL     1       3.741  -5.579   0.594  1.00  0.00           H  
HETATM   50  H   UNL     1       3.085  -4.356   1.713  1.00  0.00           H  
HETATM   51  H   UNL     1       2.710  -4.229  -1.314  1.00  0.00           H  
HETATM   52  H   UNL     1       1.527  -4.982  -0.213  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.156  -0.112   2.360  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.222   1.468   2.176  1.00  0.00           H  
HETATM   55  H   UNL     1       0.145   1.379  -1.897  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.797  -0.690  -3.963  1.00  0.00           H  
HETATM   57  H   UNL     1       0.692  -0.714  -2.961  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.650  -2.044  -2.261  1.00  0.00           H  
HETATM   59  H   UNL     1       1.205  -2.902   0.964  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.870   0.027  -0.070  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.936   1.607  -0.254  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.156   1.268  -0.775  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.465   2.099   1.797  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.126   3.078   2.443  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.549   3.177   0.717  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.711  -0.361   2.269  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.053   1.012   3.349  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.391   0.033   2.703  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.205   2.691   0.164  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.730   2.452   1.862  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.447   1.162   0.669  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.162   1.901  -1.426  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.738   1.066  -2.900  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.265  -0.992   0.705  1.00  0.00           H  
HETATM   75  H   UNL     1       0.918  -2.804  -1.939  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.696   2.787  -3.681  1.00  0.00           H  
CONECT    1   10   10    2   20                                       
CONECT    2    3    3    1   41                                       
CONECT    3    4   31    2    2                                       
CONECT    4    5    9    9    3                                       
CONECT    5    6    6   40    4                                       
CONECT    6   35    7    5    5                                       
CONECT    7    6   42   43   44                                       
CONECT    8   35   35   40   45                                       
CONECT    9    4    4   10   46                                       
CONECT   10    9   11    1    1                                       
CONECT   11   10   12   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   20   51   52                                       
CONECT   14   15   22   53   54                                       
CONECT   15   30   21   22   14                                       
CONECT   16   17   36   29   55                                       
CONECT   17   18   16   56   57                                       
CONECT   18   19   17   33   58                                       
CONECT   19   34   37   37   18                                       
CONECT   20    1   13   34   59                                       
CONECT   21   32   39   39   15                                       
CONECT   22   15   14   60   61                                       
CONECT   23   28   24   32   62                                       
CONECT   24   25   23   26   27                                       
CONECT   25   24   63   64   65                                       
CONECT   26   24   66   67   68                                       
CONECT   27   24   69   70   71                                       
CONECT   28   33   38   38   23                                       
CONECT   29   16   33   72   73                                       
CONECT   30   15                                                      
CONECT   31    3                                                      
CONECT   32   23   21   74                                            
CONECT   33   18   29   28                                            
CONECT   34   20   19   75                                            
CONECT   35    8    8    6                                            
CONECT   36   16   76                                                 
CONECT   37   19   19                                                 
CONECT   38   28   28                                                 
CONECT   39   21   21                                                 
CONECT   40    8    5                                                 
CONECT   41    2                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
