COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.518  -2.594  -0.693  1.00  0.00           C  
HETATM    2  C   UNL     1       0.594  -3.256   0.123  1.00  0.00           C  
HETATM    3  C   UNL     1       1.830  -3.446  -0.758  1.00  0.00           C  
HETATM    4  C   UNL     1       3.385  -3.164   1.179  1.00  0.00           C  
HETATM    5  C   UNL     1       2.942  -4.109   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1       4.138  -4.406  -0.852  1.00  0.00           C  
HETATM    7  C   UNL     1       4.695  -3.085  -1.391  1.00  0.00           C  
HETATM    8  C   UNL     1       5.071  -2.180  -0.215  1.00  0.00           C  
HETATM    9  C   UNL     1       5.573  -0.836  -0.745  1.00  0.00           C  
HETATM   10  C   UNL     1       3.163   3.454   0.197  1.00  0.00           C  
HETATM   11  C   UNL     1       3.586   4.923   0.138  1.00  0.00           C  
HETATM   12  N   UNL     1       2.135   3.282   1.231  1.00  0.00           N  
HETATM   13  C   UNL     1       4.359   2.600   0.530  1.00  0.00           C  
HETATM   14  O   UNL     1       4.526   2.207   1.665  1.00  0.00           O  
HETATM   15  C   UNL     1       2.403   5.777  -0.322  1.00  0.00           C  
HETATM   16  C   UNL     1       2.788   7.257  -0.261  1.00  0.00           C  
HETATM   17  C   UNL     1       2.033   5.405  -1.759  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.374  -1.531   1.203  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.346  -1.243   0.371  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.392  -0.561   1.746  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.635   0.213   1.192  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.874   1.057   0.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.963   0.849  -0.288  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.930  -0.116  -0.080  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.930  -0.307  -1.016  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.962   0.468  -2.160  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.995   1.433  -2.368  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.999   1.628  -1.430  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.701  -2.412   0.151  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.307  -3.337   0.810  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.312  -2.845   1.444  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.586  -0.580   0.897  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.734   0.196   0.411  1.00  0.00           N  
HETATM   34  N   UNL     1       5.242   2.272  -0.434  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.591   0.944   2.163  1.00  0.00           O  
HETATM   36  O   UNL     1       7.263   1.140  -1.285  1.00  0.00           O  
HETATM   37  O   UNL     1       7.147   1.904   1.092  1.00  0.00           O  
HETATM   38  O   UNL     1       5.150  -5.083  -0.105  1.00  0.00           O  
HETATM   39  O   UNL     1       5.855  -3.345  -2.185  1.00  0.00           O  
HETATM   40  O   UNL     1       3.922  -1.969   0.608  1.00  0.00           O  
HETATM   41  O   UNL     1       6.031  -0.035   0.346  1.00  0.00           O  
HETATM   42  S   UNL     1       6.556   1.333  -0.068  1.00  0.00           S  
HETATM   43  H   UNL     1      -0.175  -1.624  -1.053  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.771  -3.228  -1.543  1.00  0.00           H  
HETATM   45  H   UNL     1       0.848  -2.623   0.973  1.00  0.00           H  
HETATM   46  H   UNL     1       0.252  -4.227   0.483  1.00  0.00           H  
HETATM   47  H   UNL     1       1.577  -4.080  -1.608  1.00  0.00           H  
HETATM   48  H   UNL     1       2.172  -2.476  -1.118  1.00  0.00           H  
HETATM   49  H   UNL     1       2.529  -2.915   1.805  1.00  0.00           H  
HETATM   50  H   UNL     1       4.149  -3.653   1.785  1.00  0.00           H  
HETATM   51  H   UNL     1       2.573  -5.039   0.490  1.00  0.00           H  
HETATM   52  H   UNL     1       3.816  -5.034  -1.683  1.00  0.00           H  
HETATM   53  H   UNL     1       3.939  -2.592  -2.002  1.00  0.00           H  
HETATM   54  H   UNL     1       5.857  -2.656   0.373  1.00  0.00           H  
HETATM   55  H   UNL     1       6.394  -1.004  -1.442  1.00  0.00           H  
HETATM   56  H   UNL     1       4.760  -0.321  -1.257  1.00  0.00           H  
HETATM   57  H   UNL     1       2.760   3.154  -0.770  1.00  0.00           H  
HETATM   58  H   UNL     1       3.907   5.249   1.128  1.00  0.00           H  
HETATM   59  H   UNL     1       4.411   5.036  -0.566  1.00  0.00           H  
HETATM   60  H   UNL     1       2.484   3.555   2.138  1.00  0.00           H  
HETATM   61  H   UNL     1       1.298   3.795   0.998  1.00  0.00           H  
HETATM   62  H   UNL     1       1.549   5.597   0.332  1.00  0.00           H  
HETATM   63  H   UNL     1       3.641   7.437  -0.914  1.00  0.00           H  
HETATM   64  H   UNL     1       1.945   7.865  -0.589  1.00  0.00           H  
HETATM   65  H   UNL     1       3.051   7.522   0.763  1.00  0.00           H  
HETATM   66  H   UNL     1       1.759   4.351  -1.802  1.00  0.00           H  
HETATM   67  H   UNL     1       1.190   6.013  -2.086  1.00  0.00           H  
HETATM   68  H   UNL     1       2.887   5.585  -2.412  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.092  -0.276  -0.037  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.664  -0.851   2.761  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.969   0.443   1.756  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.557   2.100   0.717  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.905  -0.722   0.814  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.685  -1.062  -0.853  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.742   0.318  -2.891  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.020   2.038  -3.263  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.246   2.385  -1.591  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.621  -1.163   0.123  1.00  0.00           H  
HETATM   79  H   UNL     1       5.108   2.586  -1.342  1.00  0.00           H  
HETATM   80  H   UNL     1       5.939  -5.302  -0.620  1.00  0.00           H  
HETATM   81  H   UNL     1       6.261  -2.551  -2.559  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.252   0.806   1.723  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.769  -0.387  -0.363  1.00  0.00           H  
CONECT    1    2   29   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    5    2   47   48                                       
CONECT    4   40    5   49   50                                       
CONECT    5    4    6    3   51                                       
CONECT    6    7    5   38   52                                       
CONECT    7   39    8    6   53                                       
CONECT    8   40    7    9   54                                       
CONECT    9    8   41   55   56                                       
CONECT   10   11   12   13   57                                       
CONECT   11   15   10   58   59                                       
CONECT   12   10   60   61                                            
CONECT   13   10   34   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   11   17   62                                       
CONECT   16   15   63   64   65                                       
CONECT   17   15   66   67   68                                       
CONECT   18   31   19   19   20                                       
CONECT   19   29   18   18   69                                       
CONECT   20   18   32   70   71                                       
CONECT   21   35   35   32   33                                       
CONECT   22   33   23   72   82                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   73                                       
CONECT   25   24   24   26   74                                       
CONECT   26   27   27   25   75                                       
CONECT   27   28   26   26   76                                       
CONECT   28   23   23   27   77                                       
CONECT   29   30    1   19                                            
CONECT   30   31   31   29                                            
CONECT   31   30   30   18                                            
CONECT   32   20   21   78                                            
CONECT   33   21   22   83                                            
CONECT   34   13   42   79                                            
CONECT   35   21   21                                                 
CONECT   36   42   42                                                 
CONECT   37   42   42                                                 
CONECT   38    6   80                                                 
CONECT   39    7   81                                                 
CONECT   40    8    4                                                 
CONECT   41    9   42                                                 
CONECT   42   41   34   36   36                                       
CONECT   42   37   37                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   22                                                      
CONECT   83   33                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
