COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.104  -1.139  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.823   0.533   1.569  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.444  -0.817  -0.224  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.162   0.859   1.473  1.00  0.00           C  
HETATM    5  C   UNL     1       1.090  -3.575   1.210  1.00  0.00           C  
HETATM    6  C   UNL     1       2.893  -3.230  -0.339  1.00  0.00           C  
HETATM    7  C   UNL     1       0.212  -2.999   0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       2.011  -2.655  -1.233  1.00  0.00           C  
HETATM    9  C   UNL     1       2.650   3.968  -1.343  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.295  -0.465   0.771  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.977   0.184   0.575  1.00  0.00           C  
HETATM   12  C   UNL     1       2.434  -3.692   0.886  1.00  0.00           C  
HETATM   13  C   UNL     1       0.672  -2.539  -0.908  1.00  0.00           C  
HETATM   14  C   UNL     1       1.748   3.186  -0.627  1.00  0.00           C  
HETATM   15  C   UNL     1       3.440   4.874  -0.645  1.00  0.00           C  
HETATM   16  C   UNL     1       2.442   4.204   1.324  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.725  -0.143  -0.139  1.00  0.00           C  
HETATM   18  C   UNL     1       1.743   1.323  -2.065  1.00  0.00           C  
HETATM   19  C   UNL     1       0.813   0.446  -2.910  1.00  0.00           C  
HETATM   20  C   UNL     1       0.066   1.567  -0.330  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.932   0.700  -1.104  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.774   1.544   1.332  1.00  0.00           C  
HETATM   23  C   UNL     1       5.106   6.560  -0.512  1.00  0.00           C  
HETATM   24  C   UNL     1       3.189   5.281   3.303  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.834  -0.819   0.878  1.00  0.00           C  
HETATM   26  C   UNL     1       4.669  -4.345   1.368  1.00  0.00           C  
HETATM   27  N   UNL     1       1.673   3.331   0.694  1.00  0.00           N  
HETATM   28  N   UNL     1       3.309   4.963   0.675  1.00  0.00           N  
HETATM   29  N   UNL     1       0.939   2.270  -1.280  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.182  -0.171  -2.021  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.063   0.001  -0.060  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.160  -0.952   0.566  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.059  -2.253  -3.341  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.753  -2.008  -1.520  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.294   0.503   0.479  1.00  0.00           O  
HETATM   36  O   UNL     1       3.300  -4.258   1.768  1.00  0.00           O  
HETATM   37  O   UNL     1       4.332   5.655  -1.302  1.00  0.00           O  
HETATM   38  O   UNL     1       2.338   4.325   2.669  1.00  0.00           O  
HETATM   39  F   UNL     1       5.167  -3.061   1.124  1.00  0.00           F  
HETATM   40  F   UNL     1       5.415  -4.950   2.385  1.00  0.00           F  
HETATM   41  F   UNL     1       4.766  -5.112   0.201  1.00  0.00           F  
HETATM   42  S   UNL     1      -0.450  -1.805  -2.051  1.00  0.00           S  
HETATM   43  H   UNL     1      -5.690  -1.922  -0.742  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.189   1.059   2.267  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.076  -1.344  -0.923  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.575   1.639   2.096  1.00  0.00           H  
HETATM   47  H   UNL     1       0.731  -3.930   2.165  1.00  0.00           H  
HETATM   48  H   UNL     1       3.939  -3.320  -0.593  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.834  -2.908   0.564  1.00  0.00           H  
HETATM   50  H   UNL     1       2.368  -2.296  -2.187  1.00  0.00           H  
HETATM   51  H   UNL     1       2.737   3.870  -2.415  1.00  0.00           H  
HETATM   52  H   UNL     1       2.324   0.693  -1.391  1.00  0.00           H  
HETATM   53  H   UNL     1       2.418   1.875  -2.720  1.00  0.00           H  
HETATM   54  H   UNL     1       0.308   1.061  -3.655  1.00  0.00           H  
HETATM   55  H   UNL     1       1.394  -0.331  -3.406  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.475   2.295   0.273  1.00  0.00           H  
HETATM   57  H   UNL     1       0.671   0.934   0.320  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.608   1.339  -1.673  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.233   2.467   1.120  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.838   1.699   1.154  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.616   1.262   2.373  1.00  0.00           H  
HETATM   62  H   UNL     1       5.689   5.998   0.217  1.00  0.00           H  
HETATM   63  H   UNL     1       5.778   7.124  -1.159  1.00  0.00           H  
HETATM   64  H   UNL     1       4.440   7.249   0.008  1.00  0.00           H  
HETATM   65  H   UNL     1       2.981   6.274   2.903  1.00  0.00           H  
HETATM   66  H   UNL     1       3.005   5.276   4.377  1.00  0.00           H  
HETATM   67  H   UNL     1       4.231   5.023   3.111  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.488  -0.630   1.895  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.696  -1.873   0.637  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.515   0.648  -0.624  1.00  0.00           H  
CONECT    1    3    3   10   43                                       
CONECT    2    4   10   10   44                                       
CONECT    3    1    1   11   45                                       
CONECT    4    2   11   11   46                                       
CONECT    5    7    7   12   47                                       
CONECT    6    8   12   12   48                                       
CONECT    7    5    5   13   49                                       
CONECT    8    6   13   13   50                                       
CONECT    9   14   14   15   51                                       
CONECT   10    1    2    2   25                                       
CONECT   11    3    4    4   35                                       
CONECT   12    5    6    6   36                                       
CONECT   13    7    8    8   42                                       
CONECT   14    9    9   27   29                                       
CONECT   15    9   28   28   37                                       
CONECT   16   27   27   28   38                                       
CONECT   17   21   31   32   32                                       
CONECT   18   19   29   52   53                                       
CONECT   19   18   30   54   55                                       
CONECT   20   21   29   56   57                                       
CONECT   21   17   20   30   58                                       
CONECT   22   35   59   60   61                                       
CONECT   23   37   62   63   64                                       
CONECT   24   38   65   66   67                                       
CONECT   25   10   31   68   69                                       
CONECT   26   36   39   40   41                                       
CONECT   27   14   16   16                                            
CONECT   28   15   15   16                                            
CONECT   29   14   18   20                                            
CONECT   30   19   21   42                                            
CONECT   31   17   25   70                                            
CONECT   32   17   17                                                 
CONECT   33   42   42                                                 
CONECT   34   42   42                                                 
CONECT   35   11   22                                                 
CONECT   36   12   26                                                 
CONECT   37   15   23                                                 
CONECT   38   16   24                                                 
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   13   30   33   33                                       
CONECT   42   34   34                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   31                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
