COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -0.471   1.066   0.156  1.00  0.00           F  
HETATM    2  C   UNL     1      -0.513  -0.252  -0.137  1.00  0.00           C  
HETATM    3  C   UNL     1       0.279  -0.764  -1.158  1.00  0.00           C  
HETATM    4  S   UNL     1       1.341   0.305  -2.070  1.00  0.00           S  
HETATM    5  C   UNL     1       2.886   0.252  -1.122  1.00  0.00           C  
HETATM    6  C   UNL     1       3.929   1.146  -1.797  1.00  0.00           C  
HETATM    7  C   UNL     1       5.213   1.102  -1.009  1.00  0.00           C  
HETATM    8  C   UNL     1       6.172   0.150  -1.307  1.00  0.00           C  
HETATM    9  C   UNL     1       7.350   0.104  -0.590  1.00  0.00           C  
HETATM   10  C   UNL     1       7.573   1.021   0.439  1.00  0.00           C  
HETATM   11  C   UNL     1       8.831   0.979   1.211  1.00  0.00           C  
HETATM   12  O   UNL     1       9.675   0.144   0.951  1.00  0.00           O  
HETATM   13  O   UNL     1       9.043   1.865   2.203  1.00  0.00           O  
HETATM   14  C   UNL     1       6.601   1.979   0.735  1.00  0.00           C  
HETATM   15  C   UNL     1       5.430   2.017   0.006  1.00  0.00           C  
HETATM   16  C   UNL     1       0.233  -2.121  -1.457  1.00  0.00           C  
HETATM   17  F   UNL     1       1.003  -2.620  -2.449  1.00  0.00           F  
HETATM   18  C   UNL     1      -0.601  -2.961  -0.739  1.00  0.00           C  
HETATM   19  F   UNL     1      -0.645  -4.280  -1.031  1.00  0.00           F  
HETATM   20  C   UNL     1      -1.344  -1.099   0.584  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.391  -2.453   0.278  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.452  -3.526   1.188  1.00  0.00           S  
HETATM   23  O   UNL     1      -2.850  -4.553   0.291  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.528  -4.254   2.354  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.376  -2.690   1.872  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.143  -0.586   1.613  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.074   0.428   1.101  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.239  -0.262   0.389  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.184   0.058  -1.107  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.533   0.621  -1.558  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.315   1.958  -2.270  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.199   3.029  -1.626  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.337   4.227  -1.226  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.570   4.553   0.251  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.227   4.597   0.982  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.276   3.669   2.197  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.095   2.698   2.145  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.611   1.262   2.266  1.00  0.00           C  
HETATM   39  H   UNL     1       2.703   0.609  -0.109  1.00  0.00           H  
HETATM   40  H   UNL     1       3.255  -0.772  -1.085  1.00  0.00           H  
HETATM   41  H   UNL     1       4.112   0.789  -2.810  1.00  0.00           H  
HETATM   42  H   UNL     1       3.560   2.171  -1.833  1.00  0.00           H  
HETATM   43  H   UNL     1       5.998  -0.558  -2.103  1.00  0.00           H  
HETATM   44  H   UNL     1       8.097  -0.639  -0.824  1.00  0.00           H  
HETATM   45  H   UNL     1       9.882   1.797   2.680  1.00  0.00           H  
HETATM   46  H   UNL     1       6.767   2.691   1.530  1.00  0.00           H  
HETATM   47  H   UNL     1       4.679   2.760   0.231  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.584  -4.047   2.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.933  -4.889   2.966  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.576  -0.213   2.359  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.553   1.078   0.399  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.166  -1.340   0.533  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.182   0.097   0.803  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.402   0.795  -1.292  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.965  -0.852  -1.665  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.010  -0.081  -2.241  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.173   0.773  -0.688  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.269   2.250  -2.183  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.578   1.855  -3.323  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.958   3.349  -2.339  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.682   2.616  -0.741  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.285   3.988  -1.383  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.608   5.090  -1.835  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.063   5.521   0.336  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.201   3.784   0.697  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.435   4.271   0.307  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.026   5.617   1.311  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.219   4.263   3.110  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.210   3.107   2.187  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.569   2.816   1.198  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.414   2.910   2.969  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.700   1.264   2.240  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.270   0.832   3.208  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   20   20    3    1                                       
CONECT    3   16   16    2    4                                       
CONECT    4    3    5                                                 
CONECT    5    6    4   39   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6   15   15    8                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10   14   14    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   45                                                 
CONECT   14   15   10   10   46                                       
CONECT   15    7    7   14   47                                       
CONECT   16   18   17    3    3                                       
CONECT   17   16                                                      
CONECT   18   21   21   19   16                                       
CONECT   19   18                                                      
CONECT   20   21   26    2    2                                       
CONECT   21   22   18   18   20                                       
CONECT   22   25   25   23   23                                       
CONECT   22   24   21                                                 
CONECT   23   22   22                                                 
CONECT   24   22   48   49                                            
CONECT   25   22   22                                                 
CONECT   26   27   20   50                                            
CONECT   27   38   26   28   51                                       
CONECT   28   29   27   52   53                                       
CONECT   29   30   28   54   55                                       
CONECT   30   31   29   56   57                                       
CONECT   31   32   30   58   59                                       
CONECT   32   33   31   60   61                                       
CONECT   33   34   32   62   63                                       
CONECT   34   33   35   64   65                                       
CONECT   35   34   36   66   67                                       
CONECT   36   35   37   68   69                                       
CONECT   37   36   38   70   71                                       
CONECT   38   37   27   72   73                                       
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
