COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.092   1.243   0.384  1.00  0.00           C  
HETATM    2  N   UNL     1       3.686   0.452  -0.785  1.00  0.00           N  
HETATM    3  C   UNL     1       2.963   1.278   1.382  1.00  0.00           C  
HETATM    4  O   UNL     1       1.691   1.309   0.956  1.00  0.00           O  
HETATM    5  O   UNL     1       3.204   1.279   2.566  1.00  0.00           O  
HETATM    6  C   UNL     1       4.428   2.669  -0.056  1.00  0.00           C  
HETATM    7  C   UNL     1       5.324   0.605   1.029  1.00  0.00           C  
HETATM    8  C   UNL     1       6.452   0.569   0.031  1.00  0.00           C  
HETATM    9  C   UNL     1       6.603  -0.522  -0.803  1.00  0.00           C  
HETATM   10  C   UNL     1       8.522   0.505  -1.801  1.00  0.00           C  
HETATM   11  C   UNL     1       8.368   1.599  -0.970  1.00  0.00           C  
HETATM   12  C   UNL     1       7.638  -0.555  -1.719  1.00  0.00           C  
HETATM   13  C   UNL     1       7.333   1.631  -0.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.194   1.441   0.092  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.601   0.218   0.404  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.347   0.192   1.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.698   1.374   1.312  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.286   2.586   1.003  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.534   2.623   0.393  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.123   3.851   0.082  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.298  -1.046   0.087  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.723  -2.227   0.389  1.00  0.00           N  
HETATM   23  O   UNL     1      -4.390  -1.021  -0.447  1.00  0.00           O  
HETATM   24  S   UNL     1      -4.238   3.950  -1.140  1.00  0.00           S  
HETATM   25  C   UNL     1      -5.830   3.649  -0.324  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.152   5.296  -1.585  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.907   2.870  -2.003  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.756   5.052   0.836  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.414  -3.480   0.075  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.402  -4.587  -0.079  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.322  -4.660   0.781  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.546  -6.616  -0.362  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.632  -6.546  -1.219  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.394  -5.673   0.640  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.558  -5.531  -1.077  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.381  -3.828   1.209  1.00  0.00           C  
HETATM   37  F   UNL     1       0.361  -7.609  -0.500  1.00  0.00           F  
HETATM   38  C   UNL     1       0.655   1.342   1.974  1.00  0.00           C  
HETATM   39  H   UNL     1       3.459  -0.495  -0.521  1.00  0.00           H  
HETATM   40  H   UNL     1       2.914   0.888  -1.267  1.00  0.00           H  
HETATM   41  H   UNL     1       4.729   3.256   0.812  1.00  0.00           H  
HETATM   42  H   UNL     1       5.244   2.644  -0.778  1.00  0.00           H  
HETATM   43  H   UNL     1       3.550   3.124  -0.516  1.00  0.00           H  
HETATM   44  H   UNL     1       5.624   1.192   1.897  1.00  0.00           H  
HETATM   45  H   UNL     1       5.084  -0.411   1.343  1.00  0.00           H  
HETATM   46  H   UNL     1       5.912  -1.350  -0.739  1.00  0.00           H  
HETATM   47  H   UNL     1       9.331   0.479  -2.516  1.00  0.00           H  
HETATM   48  H   UNL     1       9.059   2.427  -1.033  1.00  0.00           H  
HETATM   49  H   UNL     1       7.756  -1.408  -2.370  1.00  0.00           H  
HETATM   50  H   UNL     1       7.212   2.486   0.594  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.162   1.468  -0.387  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.884  -0.753   1.260  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.773   3.508   1.237  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.852  -2.247   0.815  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.996   4.408   0.440  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.630   3.695  -1.063  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.820   2.662   0.139  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.911   5.542   0.351  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.604   5.736   0.866  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.479   4.772   1.852  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.971  -3.365  -0.855  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.204  -3.924   1.562  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.751  -7.281  -2.001  1.00  0.00           H  
HETATM   64  H   UNL     1       0.451  -5.730   1.311  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.405  -5.475  -1.745  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.895  -4.760   0.975  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.824  -3.943   2.139  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.112  -3.027   1.320  1.00  0.00           H  
HETATM   69  H   UNL     1       0.733   0.454   2.600  1.00  0.00           H  
HETATM   70  H   UNL     1       0.780   2.233   2.589  1.00  0.00           H  
CONECT    1    3    7    6    2                                       
CONECT    2    1   39   40                                            
CONECT    3    1    5    5    4                                       
CONECT    4    3   38                                                 
CONECT    5    3    3                                                 
CONECT    6    1   41   42   43                                       
CONECT    7    1    8   44   45                                       
CONECT    8    7   13    9    9                                       
CONECT    9    8    8   12   46                                       
CONECT   10   11   12   12   47                                       
CONECT   11   10   13   13   48                                       
CONECT   12    9   10   10   49                                       
CONECT   13    8   11   11   50                                       
CONECT   14   19   15   15   51                                       
CONECT   15   14   14   16   21                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   53                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   28   24                                            
CONECT   21   15   23   23   22                                       
CONECT   22   21   29   54                                            
CONECT   23   21   21                                                 
CONECT   24   20   25   27   27                                       
CONECT   24   26   26                                                 
CONECT   25   24   55   56   57                                       
CONECT   26   24   24                                                 
CONECT   27   24   24                                                 
CONECT   28   20   58   59   60                                       
CONECT   29   22   36   30   61                                       
CONECT   30   29   35   35   31                                       
CONECT   31   30   34   34   62                                       
CONECT   32   33   33   34   37                                       
CONECT   33   32   32   35   63                                       
CONECT   34   31   31   32   64                                       
CONECT   35   30   30   33   65                                       
CONECT   36   29   66   67   68                                       
CONECT   37   32                                                      
CONECT   38    4   17   69   70                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
