COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.128   0.614   0.157  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.959  -0.109  -0.176  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.299   0.457  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.314  -0.675   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.662   1.296  -1.227  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.692  -0.085   0.469  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.003   1.737   0.604  1.00  0.00           O  
HETATM    8  C   UNL     1       1.477   0.041  -0.014  1.00  0.00           C  
HETATM    9  C   UNL     1       2.604   0.805   0.338  1.00  0.00           C  
HETATM   10  C   UNL     1       3.854   0.262   0.215  1.00  0.00           C  
HETATM   11  C   UNL     1       3.988  -1.081  -0.213  1.00  0.00           C  
HETATM   12  C   UNL     1       2.877  -1.813  -0.649  1.00  0.00           C  
HETATM   13  C   UNL     1       1.615  -1.252  -0.516  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.736   2.482  -1.317  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.552   2.383  -2.023  1.00  0.00           C  
HETATM   16  C   UNL     1       0.297   3.470  -2.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.038   4.657  -1.482  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.222   4.757  -0.776  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.074   3.671  -0.697  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.667  -1.173   0.625  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.380  -1.433  -1.048  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.004  -0.642   0.922  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.821  -1.700   1.669  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.238  -1.168   1.905  1.00  0.00           C  
HETATM   25  O   UNL     1      -9.834  -0.833   0.650  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.139   0.185  -0.073  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.719  -0.292  -0.387  1.00  0.00           C  
HETATM   28  C   UNL     1       5.151  -1.920  -0.335  1.00  0.00           C  
HETATM   29  C   UNL     1       4.735  -3.049  -0.947  1.00  0.00           C  
HETATM   30  N   UNL     1       3.380  -2.992  -1.155  1.00  0.00           N  
HETATM   31  N   UNL     1       5.044   0.959   0.439  1.00  0.00           N  
HETATM   32  S   UNL     1       6.008   0.589   1.700  1.00  0.00           S  
HETATM   33  C   UNL     1       6.441  -1.164   1.654  1.00  0.00           C  
HETATM   34  C   UNL     1       2.586  -4.030  -1.817  1.00  0.00           C  
HETATM   35  C   UNL     1       2.427  -3.684  -3.299  1.00  0.00           C  
HETATM   36  O   UNL     1       5.185   0.850   2.829  1.00  0.00           O  
HETATM   37  O   UNL     1       7.168   1.376   1.468  1.00  0.00           O  
HETATM   38  C   UNL     1       6.548  -1.685   0.208  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.911  -1.527   1.236  1.00  0.00           O  
HETATM   40  C   UNL     1       5.432   2.036  -0.475  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.855  -1.006  -0.533  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.313   1.088   0.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.562   0.688  -2.126  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.691   1.645  -1.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.642   0.493   1.392  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.000   0.565  -0.350  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.845  -1.079   2.090  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.649  -0.918  -1.821  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.686  -1.762  -0.194  1.00  0.00           H  
HETATM   50  H   UNL     1       2.484   1.815   0.701  1.00  0.00           H  
HETATM   51  H   UNL     1       0.741  -1.815  -0.807  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.291   1.455  -2.511  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.001   3.750  -0.149  1.00  0.00           H  
HETATM   54  H   UNL     1       1.222   3.392  -2.657  1.00  0.00           H  
HETATM   55  H   UNL     1       0.626   5.507  -1.545  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.484   5.685  -0.288  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.913   0.252   1.539  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.869  -2.612   1.073  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.349  -1.915   2.628  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.173   0.500  -0.900  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.765  -1.175  -1.025  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.836  -1.934   2.398  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.192  -0.280   2.534  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.667   0.395  -1.003  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.092   1.092   0.531  1.00  0.00           H  
HETATM   66  H   UNL     1       5.372  -3.873  -1.230  1.00  0.00           H  
HETATM   67  H   UNL     1       7.105  -2.622   0.199  1.00  0.00           H  
HETATM   68  H   UNL     1       7.060  -0.948  -0.409  1.00  0.00           H  
HETATM   69  H   UNL     1       3.092  -4.991  -1.721  1.00  0.00           H  
HETATM   70  H   UNL     1       1.603  -4.089  -1.350  1.00  0.00           H  
HETATM   71  H   UNL     1       5.023   2.981  -0.117  1.00  0.00           H  
HETATM   72  H   UNL     1       6.520   2.104  -0.516  1.00  0.00           H  
HETATM   73  H   UNL     1       5.044   1.826  -1.471  1.00  0.00           H  
HETATM   74  H   UNL     1       7.398  -1.307   2.155  1.00  0.00           H  
HETATM   75  H   UNL     1       5.676  -1.733   2.182  1.00  0.00           H  
HETATM   76  H   UNL     1       1.921  -2.723  -3.395  1.00  0.00           H  
HETATM   77  H   UNL     1       3.410  -3.625  -3.766  1.00  0.00           H  
HETATM   78  H   UNL     1       1.836  -4.456  -3.791  1.00  0.00           H  
CONECT    1    2    7    7    8                                       
CONECT    2    1    3   41                                            
CONECT    3    2    4    5   42                                       
CONECT    4    3    6   21   39                                       
CONECT    5    3   14   43   44                                       
CONECT    6    4   20   45   46                                       
CONECT    7    1    1                                                 
CONECT    8    1    9   13   13                                       
CONECT    9    8   10   10   50                                       
CONECT   10    9    9   11   31                                       
CONECT   11   10   12   12   28                                       
CONECT   12   11   11   13   30                                       
CONECT   13    8    8   12   51                                       
CONECT   14    5   15   19   19                                       
CONECT   15   14   16   16   52                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   18   18   55                                       
CONECT   18   17   17   19   56                                       
CONECT   19   14   14   18   53                                       
CONECT   20    6   22   49                                            
CONECT   21    4   48                                                 
CONECT   22   20   23   27   57                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   64   65                                       
CONECT   27   22   26   60   61                                       
CONECT   28   11   29   29   38                                       
CONECT   29   28   28   30   66                                       
CONECT   30   12   29   34                                            
CONECT   31   10   32   40                                            
CONECT   32   31   33   36   36                                       
CONECT   32   37   37                                                 
CONECT   33   32   38   74   75                                       
CONECT   34   30   35   69   70                                       
CONECT   35   34   76   77   78                                       
CONECT   36   32   32                                                 
CONECT   37   32   32                                                 
CONECT   38   28   33   67   68                                       
CONECT   39    4   47                                                 
CONECT   40   31   71   72   73                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47   39                                                      
CONECT   48   21                                                      
CONECT   49   20                                                      
CONECT   50    9                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
