COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.192   1.976  -0.183  1.00  0.00           C  
HETATM    2  C   UNL     1       4.012  -0.389   0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       2.236  -3.681  -0.410  1.00  0.00           C  
HETATM    4  C   UNL     1       1.197  -4.074  -1.229  1.00  0.00           C  
HETATM    5  C   UNL     1       0.644  -2.518   0.947  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.759  -2.561   0.314  1.00  0.00           C  
HETATM    7  C   UNL     1       1.854  -1.541  -2.649  1.00  0.00           C  
HETATM    8  O   UNL     1       2.689  -1.587  -1.490  1.00  0.00           O  
HETATM    9  C   UNL     1       3.194  -0.407  -1.047  1.00  0.00           C  
HETATM   10  N   UNL     1       2.898   0.711  -1.686  1.00  0.00           N  
HETATM   11  C   UNL     1       3.369   1.880  -1.295  1.00  0.00           C  
HETATM   12  C   UNL     1       4.523   0.818   0.518  1.00  0.00           C  
HETATM   13  S   UNL     1       4.401  -1.886   0.919  1.00  0.00           S  
HETATM   14  O   UNL     1       4.811  -2.814  -0.077  1.00  0.00           O  
HETATM   15  O   UNL     1       5.216  -1.523   2.025  1.00  0.00           O  
HETATM   16  N   UNL     1       2.988  -2.473   1.552  1.00  0.00           N  
HETATM   17  C   UNL     1       1.964  -2.887   0.704  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.043  -3.705  -0.975  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.347  -2.945   0.071  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.090  -1.772   1.414  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.404  -1.414   1.633  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.394  -1.836   0.764  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.828  -1.440   1.010  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.109  -0.171   0.327  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.548   0.128   0.343  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.808   1.413  -0.445  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.038   2.514   0.150  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.599   2.216   0.133  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.339   0.930   0.922  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.320   3.784  -0.534  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.810   4.107  -0.414  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.501   4.904   0.112  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.075  -2.619  -0.329  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.761  -2.985  -0.560  1.00  0.00           C  
HETATM   35  F   UNL     1      -2.448  -3.745  -1.632  1.00  0.00           F  
HETATM   36  N   UNL     1       4.690   3.219   0.226  1.00  0.00           N  
HETATM   37  C   UNL     1       6.158   3.203   0.291  1.00  0.00           C  
HETATM   38  C   UNL     1       6.656   4.559   0.798  1.00  0.00           C  
HETATM   39  O   UNL     1       6.162   5.593  -0.058  1.00  0.00           O  
HETATM   40  C   UNL     1       4.735   5.638  -0.144  1.00  0.00           C  
HETATM   41  C   UNL     1       4.219   4.292  -0.661  1.00  0.00           C  
HETATM   42  H   UNL     1       3.248  -3.990  -0.627  1.00  0.00           H  
HETATM   43  H   UNL     1       1.403  -4.692  -2.090  1.00  0.00           H  
HETATM   44  H   UNL     1       0.394  -1.900   1.798  1.00  0.00           H  
HETATM   45  H   UNL     1       0.989  -0.909  -2.449  1.00  0.00           H  
HETATM   46  H   UNL     1       2.418  -1.131  -3.487  1.00  0.00           H  
HETATM   47  H   UNL     1       1.519  -2.549  -2.895  1.00  0.00           H  
HETATM   48  H   UNL     1       3.111   2.772  -1.847  1.00  0.00           H  
HETATM   49  H   UNL     1       5.162   0.862   1.388  1.00  0.00           H  
HETATM   50  H   UNL     1       2.874  -2.529   2.513  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.319  -1.442   2.095  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.661  -0.803   2.486  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.490  -2.216   0.625  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.993  -1.321   2.081  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.096  -0.696  -0.114  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.881   0.259   1.373  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.501   1.273  -1.482  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.871   1.653  -0.410  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.267   2.084  -0.896  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.051   3.040   0.590  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.646   1.070   1.958  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.276   0.691   0.887  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.050   3.697  -1.586  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.019   5.049  -0.922  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.394   3.310  -0.874  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.080   4.194   0.638  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.439   4.673   0.027  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.710   5.845  -0.395  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.771   4.990   1.165  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.852  -2.946  -1.004  1.00  0.00           H  
HETATM   71  H   UNL     1       6.484   2.418   0.972  1.00  0.00           H  
HETATM   72  H   UNL     1       6.564   3.015  -0.703  1.00  0.00           H  
HETATM   73  H   UNL     1       6.293   4.723   1.813  1.00  0.00           H  
HETATM   74  H   UNL     1       7.746   4.572   0.794  1.00  0.00           H  
HETATM   75  H   UNL     1       4.317   5.833   0.843  1.00  0.00           H  
HETATM   76  H   UNL     1       4.437   6.431  -0.829  1.00  0.00           H  
HETATM   77  H   UNL     1       4.594   4.122  -1.670  1.00  0.00           H  
HETATM   78  H   UNL     1       3.129   4.302  -0.674  1.00  0.00           H  
CONECT    1   12   12   11   36                                       
CONECT    2   13    9    9   12                                       
CONECT    3   17   17    4   42                                       
CONECT    4    3   18   18   43                                       
CONECT    5   17   19   19   44                                       
CONECT    6   19   20   34   34                                       
CONECT    7    8   45   46   47                                       
CONECT    8    7    9                                                 
CONECT    9    8    2    2   10                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10    1   48                                       
CONECT   12    2    1    1   49                                       
CONECT   13   15   15   14   14                                       
CONECT   13   16    2                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   50                                            
CONECT   17   16    3    3    5                                       
CONECT   18    4    4   19                                            
CONECT   19    5    5   18    6                                       
CONECT   20   21   21    6   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   33   33   23                                       
CONECT   23   24   22   53   54                                       
CONECT   24   29   25   23                                            
CONECT   25   24   26   55   56                                       
CONECT   26   27   25   57   58                                       
CONECT   27   28   30   26                                            
CONECT   28   29   27   59   60                                       
CONECT   29   28   24   61   62                                       
CONECT   30   31   27   32   63                                       
CONECT   31   30   64   65   66                                       
CONECT   32   30   67   68   69                                       
CONECT   33   34   22   22   70                                       
CONECT   34    6    6   33   35                                       
CONECT   35   34                                                      
CONECT   36    1   37   41                                            
CONECT   37   36   38   71   72                                       
CONECT   38   37   39   73   74                                       
CONECT   39   38   40                                                 
CONECT   40   41   39   75   76                                       
CONECT   41   36   40   77   78                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
