COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.057  -0.258  -0.416  1.00  0.00           N  
HETATM    2  N   UNL     1       4.330  -1.792  -0.241  1.00  0.00           N  
HETATM    3  C   UNL     1       0.481   0.989  -0.229  1.00  0.00           C  
HETATM    4  C   UNL     1       0.644  -2.688  -0.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.387  -0.539  -0.963  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.426  -0.458   0.157  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.854  -0.682   0.699  1.00  0.00           C  
HETATM    8  C   UNL     1       0.513  -3.141  -1.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.237   3.740  -2.120  1.00  0.00           C  
HETATM   10  C   UNL     1       5.404  -0.917  -0.738  1.00  0.00           C  
HETATM   11  C   UNL     1       6.683  -1.751  -0.873  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.315   3.248   0.452  1.00  0.00           C  
HETATM   13  C   UNL     1       4.121   3.723   0.042  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.925   4.448   0.155  1.00  0.00           C  
HETATM   15  C   UNL     1       4.105  -3.072  -0.931  1.00  0.00           C  
HETATM   16  C   UNL     1       4.472   3.906   1.367  1.00  0.00           C  
HETATM   17  O   UNL     1       2.978  -2.560   1.676  1.00  0.00           O  
HETATM   18  S   UNL     1       3.406  -1.352   1.062  1.00  0.00           S  
HETATM   19  O   UNL     1       4.137  -0.347   1.750  1.00  0.00           O  
HETATM   20  C   UNL     1       5.450  -3.796  -1.057  1.00  0.00           C  
HETATM   21  O   UNL     1       6.404  -2.918  -1.650  1.00  0.00           O  
HETATM   22  C   UNL     1       1.957  -0.572   0.433  1.00  0.00           C  
HETATM   23  C   UNL     1       1.747   0.821   0.305  1.00  0.00           C  
HETATM   24  C   UNL     1       2.699   1.895   0.675  1.00  0.00           C  
HETATM   25  C   UNL     1       3.236   2.724  -0.309  1.00  0.00           C  
HETATM   26  C   UNL     1       3.938   3.090   2.349  1.00  0.00           C  
HETATM   27  C   UNL     1       3.051   2.088   2.010  1.00  0.00           C  
HETATM   28  C   UNL     1       0.850  -1.195  -0.016  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.632  -3.049   0.702  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.172   2.276  -0.540  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.386   4.696  -1.128  1.00  0.00           C  
HETATM   32  F   UNL     1      -1.982   5.874  -1.413  1.00  0.00           F  
HETATM   33  C   UNL     1      -0.633   2.533  -1.834  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.793  -0.881  -0.384  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.750  -2.259  -0.762  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.238  -0.986   0.120  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.313  -2.368  -0.233  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.309  -0.668   1.165  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.675  -0.849   0.555  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.781  -1.198  -0.597  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.774  -0.624   1.292  1.00  0.00           O  
HETATM   42  H   UNL     1       1.496  -3.187   0.399  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.625   0.195  -1.733  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.397  -1.538  -1.397  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.136  -1.123   0.970  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.482   0.566   0.527  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.653  -1.355   1.533  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.826   0.350   1.051  1.00  0.00           H  
HETATM   49  H   UNL     1       1.370  -2.783  -2.087  1.00  0.00           H  
HETATM   50  H   UNL     1       0.479  -4.229  -1.557  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.403  -2.732  -1.944  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.597   3.938  -3.118  1.00  0.00           H  
HETATM   53  H   UNL     1       5.126  -0.511  -1.710  1.00  0.00           H  
HETATM   54  H   UNL     1       5.569  -0.102  -0.033  1.00  0.00           H  
HETATM   55  H   UNL     1       7.453  -1.159  -1.368  1.00  0.00           H  
HETATM   56  H   UNL     1       7.031  -2.047   0.117  1.00  0.00           H  
HETATM   57  H   UNL     1       0.052   3.059   1.451  1.00  0.00           H  
HETATM   58  H   UNL     1       4.538   4.365  -0.720  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.037   5.200   0.923  1.00  0.00           H  
HETATM   60  H   UNL     1       3.411  -3.683  -0.355  1.00  0.00           H  
HETATM   61  H   UNL     1       3.694  -2.886  -1.924  1.00  0.00           H  
HETATM   62  H   UNL     1       5.166   4.688   1.637  1.00  0.00           H  
HETATM   63  H   UNL     1       5.796  -4.096  -0.068  1.00  0.00           H  
HETATM   64  H   UNL     1       5.331  -4.680  -1.684  1.00  0.00           H  
HETATM   65  H   UNL     1       2.959   2.586  -1.344  1.00  0.00           H  
HETATM   66  H   UNL     1       4.215   3.238   3.382  1.00  0.00           H  
HETATM   67  H   UNL     1       2.635   1.452   2.777  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.720  -4.133   0.770  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.589  -2.624   1.704  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.497  -2.647   0.174  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.518   1.789  -2.607  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.043  -0.273  -1.254  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.533  -2.859  -0.036  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.402  -0.374  -0.767  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.175  -2.972   0.510  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.198  -1.340   2.016  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.195   0.363   1.500  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.628  -0.754   0.857  1.00  0.00           H  
CONECT    1   28    3    5                                            
CONECT    2   15   10   18                                            
CONECT    3    1   23   23   30                                       
CONECT    4   29   28    8   42                                       
CONECT    5    1    6   43   44                                       
CONECT    6    5   34   45   46                                       
CONECT    7   34   36   47   48                                       
CONECT    8    4   49   50   51                                       
CONECT    9   33   33   31   52                                       
CONECT   10    2   11   53   54                                       
CONECT   11   10   21   55   56                                       
CONECT   12   30   30   14   57                                       
CONECT   13   16   16   25   58                                       
CONECT   14   12   31   31   59                                       
CONECT   15    2   20   60   61                                       
CONECT   16   13   13   26   62                                       
CONECT   17   18   18                                                 
CONECT   18    2   17   17   19                                       
CONECT   18   19   22                                                 
CONECT   19   18   18                                                 
CONECT   20   15   21   63   64                                       
CONECT   21   11   20                                                 
CONECT   22   18   23   28   28                                       
CONECT   23    3    3   22   24                                       
CONECT   24   23   27   25   25                                       
CONECT   25   13   24   24   65                                       
CONECT   26   16   27   27   66                                       
CONECT   27   24   26   26   67                                       
CONECT   28    1    4   22   22                                       
CONECT   29    4   68   69   70                                       
CONECT   30    3   12   12   33                                       
CONECT   31    9   14   14   32                                       
CONECT   32   31                                                      
CONECT   33    9    9   30   71                                       
CONECT   34    6    7   35   72                                       
CONECT   35   34   73                                                 
CONECT   36    7   37   38   74                                       
CONECT   37   36   75                                                 
CONECT   38   36   39   76   77                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   78                                                 
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
