COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.718   1.151   1.122  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.785   2.075  -0.094  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.448   1.293  -1.338  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.446   0.637  -2.033  1.00  0.00           C  
HETATM    5  C   UNL     1       0.859   1.232  -1.782  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.137  -0.079  -3.174  1.00  0.00           C  
HETATM    7  C   UNL     1       1.168   0.512  -2.921  1.00  0.00           C  
HETATM    8  C   UNL     1       0.170  -0.139  -3.619  1.00  0.00           C  
HETATM    9  C   UNL     1       0.507  -0.920  -4.863  1.00  0.00           C  
HETATM   10  F   UNL     1      -0.447  -1.924  -5.056  1.00  0.00           F  
HETATM   11  F   UNL     1       1.771  -1.501  -4.721  1.00  0.00           F  
HETATM   12  P   UNL     1       0.511   0.199  -6.302  1.00  0.00           P  
HETATM   13  O   UNL     1       1.518   1.424  -6.025  1.00  0.00           O  
HETATM   14  O   UNL     1       0.955  -0.542  -7.503  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.974   0.769  -6.542  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.655   0.039   0.943  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.339  -1.326   0.905  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.415  -2.010   0.733  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.482  -1.191   0.648  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.018   0.128   0.785  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.852  -1.420   0.466  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.916   1.188   0.729  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.718  -0.366   0.419  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.258   0.937   0.549  1.00  0.00           C  
HETATM   25  C   UNL     1       0.680   0.611   1.267  1.00  0.00           C  
HETATM   26  S   UNL     1       1.204  -1.044   1.239  1.00  0.00           S  
HETATM   27  N   UNL     1       1.789   1.274   1.437  1.00  0.00           N  
HETATM   28  C   UNL     1       2.987   0.664   1.558  1.00  0.00           C  
HETATM   29  C   UNL     1       2.938  -0.745   1.473  1.00  0.00           C  
HETATM   30  C   UNL     1       4.062  -1.528   1.569  1.00  0.00           C  
HETATM   31  C   UNL     1       5.293  -0.928   1.756  1.00  0.00           C  
HETATM   32  C   UNL     1       5.371   0.454   1.843  1.00  0.00           C  
HETATM   33  C   UNL     1       4.263   1.239   1.749  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.094   1.936   2.380  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.994   1.035   3.584  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.243   1.391   4.617  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.042   0.453   5.742  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.559  -0.840   5.676  1.00  0.00           C  
HETATM   39  C   UNL     1       0.661   0.860   6.876  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.362  -1.713   6.727  1.00  0.00           C  
HETATM   41  C   UNL     1       0.845  -0.020   7.923  1.00  0.00           C  
HETATM   42  C   UNL     1       0.335  -1.303   7.849  1.00  0.00           C  
HETATM   43  H   UNL     1      -0.071   2.889   0.027  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.791   2.485  -0.184  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.467   0.684  -1.685  1.00  0.00           H  
HETATM   46  H   UNL     1       1.638   1.745  -1.239  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.916  -0.592  -3.717  1.00  0.00           H  
HETATM   48  H   UNL     1       2.190   0.465  -3.268  1.00  0.00           H  
HETATM   49  H   UNL     1       1.490   1.991  -6.808  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.225   1.244  -5.738  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.222  -2.429   0.363  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.563   2.204   0.830  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.773  -0.549   0.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.957   1.759   0.509  1.00  0.00           H  
HETATM   55  H   UNL     1       3.985  -2.603   1.499  1.00  0.00           H  
HETATM   56  H   UNL     1       6.187  -1.529   1.834  1.00  0.00           H  
HETATM   57  H   UNL     1       6.334   0.919   1.989  1.00  0.00           H  
HETATM   58  H   UNL     1       4.360   2.312   1.822  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.413   2.779   2.500  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.116   2.305   2.287  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.533   0.100   3.605  1.00  0.00           H  
HETATM   62  H   UNL     1       0.221   2.366   4.637  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.104  -1.161   4.801  1.00  0.00           H  
HETATM   64  H   UNL     1       1.060   1.862   6.935  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.758  -2.717   6.675  1.00  0.00           H  
HETATM   66  H   UNL     1       1.390   0.293   8.801  1.00  0.00           H  
HETATM   67  H   UNL     1       0.482  -1.989   8.670  1.00  0.00           H  
CONECT    1    2   16   25   34                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    6   45                                       
CONECT    5    3    7    7   46                                       
CONECT    6    4    8    8   47                                       
CONECT    7    5    5    8   48                                       
CONECT    8    6    6    7    9                                       
CONECT    9    8   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9   13   14   14                                       
CONECT   12   15                                                      
CONECT   13   12   49                                                 
CONECT   14   12   12                                                 
CONECT   15   12   50                                                 
CONECT   16    1   17   20                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   16   19   19   22                                       
CONECT   21   19   23   23   51                                       
CONECT   22   20   24   24   52                                       
CONECT   23   21   21   24   53                                       
CONECT   24   22   22   23   54                                       
CONECT   25    1   26   27   27                                       
CONECT   26   25   29                                                 
CONECT   27   25   25   28                                            
CONECT   28   27   29   29   33                                       
CONECT   29   26   28   28   30                                       
CONECT   30   29   31   31   55                                       
CONECT   31   30   30   32   56                                       
CONECT   32   31   33   33   57                                       
CONECT   33   28   32   32   58                                       
CONECT   34    1   35   59   60                                       
CONECT   35   34   36   36   61                                       
CONECT   36   35   35   37   62                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37   40   63                                       
CONECT   39   37   41   41   64                                       
CONECT   40   38   42   42   65                                       
CONECT   41   39   39   42   66                                       
CONECT   42   40   40   41   67                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   42                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
