COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.192   0.629  -1.108  1.00  0.00           C  
HETATM    2  C   UNL     1       1.751   2.007  -1.471  1.00  0.00           C  
HETATM    3  C   UNL     1       0.815   2.690  -2.469  1.00  0.00           C  
HETATM    4  C   UNL     1       1.306   4.114  -2.736  1.00  0.00           C  
HETATM    5  C   UNL     1       0.803   1.901  -3.780  1.00  0.00           C  
HETATM    6  C   UNL     1       2.174  -0.094  -0.222  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.551   0.361   1.726  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.019   1.768   1.882  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.585   2.525   0.658  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.810   1.375  -0.347  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.589   1.220  -1.257  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.226   0.928  -1.095  1.00  0.00           C  
HETATM   13  C   UNL     1       4.407  -0.958   0.231  1.00  0.00           C  
HETATM   14  C   UNL     1       4.582  -0.071   1.465  1.00  0.00           C  
HETATM   15  C   UNL     1       5.149   1.286   1.042  1.00  0.00           C  
HETATM   16  C   UNL     1       5.323   2.185   2.246  1.00  0.00           C  
HETATM   17  C   UNL     1       7.269   2.405   0.998  1.00  0.00           C  
HETATM   18  C   UNL     1       6.580   1.123   0.480  1.00  0.00           C  
HETATM   19  C   UNL     1       3.924  -2.344   0.663  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.578  -1.081  -0.018  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.069  -1.054   0.197  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.900  -0.550  -0.786  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.268  -0.525  -0.589  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.805  -1.005   0.591  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.974  -1.509   1.574  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.607  -1.539   1.374  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.080   0.789  -0.399  1.00  0.00           N  
HETATM   28  N   UNL     1       3.419  -0.354  -0.667  1.00  0.00           N  
HETATM   29  N   UNL     1       6.520   2.795   2.199  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.992   0.170   0.471  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.573  -0.475   2.605  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.395   1.075  -0.444  1.00  0.00           O  
HETATM   33  O   UNL     1       4.502   2.335   3.126  1.00  0.00           O  
HETATM   34  O   UNL     1       4.878  -2.924   1.554  1.00  0.00           O  
HETATM   35  O   UNL     1       1.843  -0.441   0.892  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.204   0.921  -2.310  1.00  0.00           O  
HETATM   37  H   UNL     1       1.031   0.051  -2.018  1.00  0.00           H  
HETATM   38  H   UNL     1       1.829   2.615  -0.570  1.00  0.00           H  
HETATM   39  H   UNL     1       2.739   1.892  -1.918  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.193   2.725  -2.056  1.00  0.00           H  
HETATM   41  H   UNL     1       2.315   4.079  -3.149  1.00  0.00           H  
HETATM   42  H   UNL     1       0.639   4.601  -3.447  1.00  0.00           H  
HETATM   43  H   UNL     1       1.315   4.677  -1.803  1.00  0.00           H  
HETATM   44  H   UNL     1       0.453   0.886  -3.589  1.00  0.00           H  
HETATM   45  H   UNL     1       0.135   2.388  -4.491  1.00  0.00           H  
HETATM   46  H   UNL     1       1.811   1.866  -4.192  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.385   2.214   2.808  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.930   1.769   1.861  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.525   3.018   0.904  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.859   3.243   0.274  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.702   1.564  -0.944  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.711   0.336  -1.882  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.493   2.102  -1.890  1.00  0.00           H  
HETATM   54  H   UNL     1       5.361  -1.051  -0.288  1.00  0.00           H  
HETATM   55  H   UNL     1       3.616   0.073   1.949  1.00  0.00           H  
HETATM   56  H   UNL     1       5.270  -0.551   2.162  1.00  0.00           H  
HETATM   57  H   UNL     1       4.500   1.755   0.303  1.00  0.00           H  
HETATM   58  H   UNL     1       8.309   2.197   1.253  1.00  0.00           H  
HETATM   59  H   UNL     1       7.216   3.192   0.247  1.00  0.00           H  
HETATM   60  H   UNL     1       7.059   0.232   0.885  1.00  0.00           H  
HETATM   61  H   UNL     1       6.571   1.098  -0.609  1.00  0.00           H  
HETATM   62  S   UNL     1       3.740  -3.403  -0.799  1.00  0.00           S  
HETATM   63  H   UNL     1       2.963  -2.252   1.169  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.147  -1.921   0.526  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.366  -1.190  -1.082  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.481  -0.175  -1.708  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.918  -0.131  -1.357  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.874  -0.986   0.745  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.394  -1.884   2.496  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.958  -1.937   2.140  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.097   0.795   0.570  1.00  0.00           H  
HETATM   72  H   UNL     1       3.661  -0.143  -1.582  1.00  0.00           H  
HETATM   73  H   UNL     1       6.847   3.412   2.871  1.00  0.00           H  
HETATM   74  H   UNL     1       5.027  -2.410   2.360  1.00  0.00           H  
HETATM   75  O   UNL     1       2.684  -2.704  -1.643  1.00  0.00           O  
HETATM   76  O   UNL     1       4.914  -3.358  -1.598  1.00  0.00           O  
HETATM   77  O   UNL     1       3.141  -4.642  -0.444  1.00  0.00           O  
HETATM   78  H   UNL     1       2.476  -3.160  -2.470  1.00  0.00           H  
CONECT    1   27    6    2   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    4    2    5   40                                       
CONECT    4    3   41   42   43                                       
CONECT    5    3   44   45   46                                       
CONECT    6    1   28   35   35                                       
CONECT    7   31   31    8   30                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10   30    9   11   51                                       
CONECT   11   10   32   52   53                                       
CONECT   12   36   36   32   27                                       
CONECT   13   14   28   19   54                                       
CONECT   14   15   13   55   56                                       
CONECT   15   16   14   18   57                                       
CONECT   16   33   33   29   15                                       
CONECT   17   29   18   58   59                                       
CONECT   18   15   17   60   61                                       
CONECT   19   13   34   62   63                                       
CONECT   20   30   21   64   65                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   66                                       
CONECT   23   22   22   24   67                                       
CONECT   24   25   25   23   68                                       
CONECT   25   26   24   24   69                                       
CONECT   26   21   21   25   70                                       
CONECT   27   12    1   71                                            
CONECT   28    6   13   72                                            
CONECT   29   16   17   73                                            
CONECT   30    7   20   10                                            
CONECT   31    7    7                                                 
CONECT   32   11   12                                                 
CONECT   33   16   16                                                 
CONECT   34   19   74                                                 
CONECT   35    6    6                                                 
CONECT   36   12   12                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19   75   76   76                                       
CONECT   62   77   77                                                 
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   34                                                      
CONECT   75   62   78                                                 
CONECT   76   62   62                                                 
CONECT   77   62   62                                                 
CONECT   78   75                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
