COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1     -13.924   0.212   0.395  1.00  0.00           F  
HETATM    2  C   UNL     1     -12.677   0.360   1.012  1.00  0.00           C  
HETATM    3  F   UNL     1     -12.576   1.645   1.555  1.00  0.00           F  
HETATM    4  F   UNL     1     -12.546  -0.589   2.032  1.00  0.00           F  
HETATM    5  C   UNL     1     -11.569   0.154  -0.022  1.00  0.00           C  
HETATM    6  F   UNL     1     -11.671  -1.131  -0.565  1.00  0.00           F  
HETATM    7  F   UNL     1     -11.700   1.103  -1.042  1.00  0.00           F  
HETATM    8  C   UNL     1     -10.205   0.316   0.653  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.097   0.110  -0.381  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.733   0.273   0.293  1.00  0.00           C  
HETATM   11  S   UNL     1      -6.419   0.028  -0.933  1.00  0.00           S  
HETATM   12  O   UNL     1      -6.470  -1.304  -1.423  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.905   0.256   0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.685   0.079  -0.865  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.408   0.271  -0.045  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.188   0.094  -0.950  1.00  0.00           C  
HETATM   17  C   UNL     1       0.089   0.287  -0.129  1.00  0.00           C  
HETATM   18  C   UNL     1       1.309   0.110  -1.035  1.00  0.00           C  
HETATM   19  C   UNL     1       2.586   0.302  -0.214  1.00  0.00           C  
HETATM   20  C   UNL     1       3.806   0.125  -1.120  1.00  0.00           C  
HETATM   21  C   UNL     1       5.083   0.317  -0.299  1.00  0.00           C  
HETATM   22  C   UNL     1       6.303   0.140  -1.205  1.00  0.00           C  
HETATM   23  C   UNL     1       7.577   0.453  -0.420  1.00  0.00           C  
HETATM   24  C   UNL     1       7.669   1.921  -0.060  1.00  0.00           C  
HETATM   25  C   UNL     1       7.804   2.896  -1.235  1.00  0.00           C  
HETATM   26  C   UNL     1       8.467   4.139  -0.582  1.00  0.00           C  
HETATM   27  C   UNL     1       9.212   3.627   0.676  1.00  0.00           C  
HETATM   28  O   UNL     1      10.600   3.961   0.601  1.00  0.00           O  
HETATM   29  C   UNL     1       9.033   2.113   0.661  1.00  0.00           C  
HETATM   30  C   UNL     1      10.146   1.472  -0.169  1.00  0.00           C  
HETATM   31  C   UNL     1       8.953   1.421   2.006  1.00  0.00           C  
HETATM   32  C   UNL     1       8.762  -0.086   1.745  1.00  0.00           C  
HETATM   33  C   UNL     1       7.522  -0.331   0.898  1.00  0.00           C  
HETATM   34  C   UNL     1       7.312  -1.791   0.621  1.00  0.00           C  
HETATM   35  C   UNL     1       7.676  -2.704   1.601  1.00  0.00           C  
HETATM   36  C   UNL     1       7.496  -4.057   1.403  1.00  0.00           C  
HETATM   37  C   UNL     1       6.944  -4.509   0.213  1.00  0.00           C  
HETATM   38  O   UNL     1       6.756  -5.839   0.009  1.00  0.00           O  
HETATM   39  C   UNL     1       6.584  -3.598  -0.766  1.00  0.00           C  
HETATM   40  C   UNL     1       6.772  -2.237  -0.567  1.00  0.00           C  
HETATM   41  C   UNL     1       6.381  -1.308  -1.687  1.00  0.00           C  
HETATM   42  H   UNL     1     -10.126   1.318   1.076  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.103  -0.423   1.447  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.176  -0.891  -0.804  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.199   0.850  -1.176  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.654   1.274   0.716  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.631  -0.467   1.088  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.897   1.258   0.470  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.874  -0.482   0.841  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.694  -0.923  -1.295  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.717   0.818  -1.666  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.400   1.273   0.385  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.377  -0.467   0.756  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.196  -0.907  -1.380  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.220   0.833  -1.751  1.00  0.00           H  
HETATM   56  H   UNL     1       0.097   1.289   0.300  1.00  0.00           H  
HETATM   57  H   UNL     1       0.120  -0.452   0.671  1.00  0.00           H  
HETATM   58  H   UNL     1       1.301  -0.892  -1.464  1.00  0.00           H  
HETATM   59  H   UNL     1       1.277   0.849  -1.836  1.00  0.00           H  
HETATM   60  H   UNL     1       2.594   1.304   0.215  1.00  0.00           H  
HETATM   61  H   UNL     1       2.617  -0.437   0.587  1.00  0.00           H  
HETATM   62  H   UNL     1       3.797  -0.877  -1.549  1.00  0.00           H  
HETATM   63  H   UNL     1       3.774   0.864  -1.921  1.00  0.00           H  
HETATM   64  H   UNL     1       5.091   1.319   0.130  1.00  0.00           H  
HETATM   65  H   UNL     1       5.114  -0.421   0.502  1.00  0.00           H  
HETATM   66  H   UNL     1       6.225   0.810  -2.062  1.00  0.00           H  
HETATM   67  H   UNL     1       8.450   0.144  -0.996  1.00  0.00           H  
HETATM   68  H   UNL     1       6.845   2.205   0.596  1.00  0.00           H  
HETATM   69  H   UNL     1       8.446   2.478  -2.010  1.00  0.00           H  
HETATM   70  H   UNL     1       6.825   3.147  -1.642  1.00  0.00           H  
HETATM   71  H   UNL     1       9.174   4.594  -1.276  1.00  0.00           H  
HETATM   72  H   UNL     1       7.705   4.863  -0.296  1.00  0.00           H  
HETATM   73  H   UNL     1       8.769   4.051   1.577  1.00  0.00           H  
HETATM   74  H   UNL     1      10.774   4.912   0.565  1.00  0.00           H  
HETATM   75  H   UNL     1      10.151   1.907  -1.168  1.00  0.00           H  
HETATM   76  H   UNL     1      11.108   1.653   0.311  1.00  0.00           H  
HETATM   77  H   UNL     1       9.973   0.398  -0.241  1.00  0.00           H  
HETATM   78  H   UNL     1       9.877   1.585   2.561  1.00  0.00           H  
HETATM   79  H   UNL     1       8.107   1.808   2.572  1.00  0.00           H  
HETATM   80  H   UNL     1       9.637  -0.473   1.222  1.00  0.00           H  
HETATM   81  H   UNL     1       8.654  -0.604   2.697  1.00  0.00           H  
HETATM   82  H   UNL     1       6.656   0.020   1.460  1.00  0.00           H  
HETATM   83  H   UNL     1       8.106  -2.352   2.527  1.00  0.00           H  
HETATM   84  H   UNL     1       7.784  -4.761   2.169  1.00  0.00           H  
HETATM   85  H   UNL     1       5.894  -6.164   0.302  1.00  0.00           H  
HETATM   86  H   UNL     1       6.154  -3.949  -1.692  1.00  0.00           H  
HETATM   87  H   UNL     1       5.409  -1.607  -2.076  1.00  0.00           H  
HETATM   88  H   UNL     1       7.121  -1.379  -2.484  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    4    3                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    6    7    2    8                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   17   15   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   41   66                                       
CONECT   23   24   22   33   67                                       
CONECT   24   25   29   23   68                                       
CONECT   25   26   24   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   29   73                                       
CONECT   28   27   74                                                 
CONECT   29   30   27   24   31                                       
CONECT   30   29   75   76   77                                       
CONECT   31   29   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   23   32   34   82                                       
CONECT   34   33   40   35   35                                       
CONECT   35   34   34   36   83                                       
CONECT   36   37   37   35   84                                       
CONECT   37   39   38   36   36                                       
CONECT   38   37   85                                                 
CONECT   39   40   40   37   86                                       
CONECT   40   41   39   39   34                                       
CONECT   41   22   40   87   88                                       
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
