COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.545  -7.686   0.165  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.537  -6.594  -0.625  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.689  -6.711  -1.825  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.344  -5.258  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.177  -5.129   1.284  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.336  -4.156  -0.831  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.191  -2.889  -0.185  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.799  -1.798  -1.069  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.222  -1.924  -1.079  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.406  -0.432  -0.491  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.135   0.660  -1.231  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.346   1.061  -0.813  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.630   1.173  -2.201  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.734  -2.612   0.045  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.174  -1.463  -0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.896  -0.252  -0.657  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.441   0.976   0.135  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.715   0.752   1.624  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.665  -0.201   2.198  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.848  -0.311   3.690  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.784   0.234   4.225  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.971  -1.014   4.424  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.161   2.126  -0.313  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.965   1.192  -0.077  1.00  0.00           C  
HETATM   25  S   UNL     1       0.022   0.258  -1.114  1.00  0.00           S  
HETATM   26  N   UNL     1      -0.265   2.114   0.493  1.00  0.00           N1+
HETATM   27  C   UNL     1      -0.868   3.059   1.436  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.536   4.173   0.672  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.763   5.310   0.151  1.00  0.00           C  
HETATM   30  N   UNL     1       0.473   5.530   0.556  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.356   6.129  -0.759  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.645   6.066  -0.951  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.283   6.976  -1.968  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.422   5.201  -0.257  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.866   4.159   0.435  1.00  0.00           C  
HETATM   36  C   UNL     1       1.017   2.167   0.191  1.00  0.00           C  
HETATM   37  C   UNL     1       1.952   3.191   0.783  1.00  0.00           C  
HETATM   38  C   UNL     1       1.421   1.235  -0.677  1.00  0.00           C  
HETATM   39  C   UNL     1       2.824   1.059  -1.199  1.00  0.00           C  
HETATM   40  C   UNL     1       3.594   0.107  -0.280  1.00  0.00           C  
HETATM   41  O   UNL     1       4.924  -0.060  -0.775  1.00  0.00           O  
HETATM   42  P   UNL     1       6.016  -0.998  -0.054  1.00  0.00           P  
HETATM   43  O   UNL     1       6.162  -0.587   1.360  1.00  0.00           O  
HETATM   44  O   UNL     1       5.534  -2.532  -0.120  1.00  0.00           O  
HETATM   45  O   UNL     1       7.432  -0.847  -0.805  1.00  0.00           O  
HETATM   46  P   UNL     1       8.946  -1.244  -0.428  1.00  0.00           P  
HETATM   47  O   UNL     1       9.517  -0.207   0.664  1.00  0.00           O  
HETATM   48  O   UNL     1       8.972  -2.614   0.133  1.00  0.00           O  
HETATM   49  O   UNL     1       9.861  -1.189  -1.751  1.00  0.00           O  
HETATM   50  H   UNL     1      -4.675  -8.540  -0.268  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.931  -4.166   1.705  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.287  -5.989   1.928  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.711  -2.910   0.772  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.415  -1.893  -2.085  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.539  -2.773  -1.418  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.666  -0.394   0.567  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.775   1.764  -1.320  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.115  -3.422   0.403  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.117  -1.372   0.050  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.663  -0.107  -1.712  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.667   1.705   2.150  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.707   0.317   1.750  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.780  -1.185   1.744  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.668   0.184   1.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.130  -1.056   5.377  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.966   2.381  -1.226  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.608   2.542   2.046  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.093   3.475   2.080  1.00  0.00           H  
HETATM   69  H   UNL     1       0.946   6.324   0.261  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.517   7.600  -2.429  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.773   6.376  -2.736  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.021   7.610  -1.477  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.480   3.346   0.794  1.00  0.00           H  
HETATM   74  H   UNL     1       2.521   2.737   1.594  1.00  0.00           H  
HETATM   75  H   UNL     1       2.636   3.546   0.012  1.00  0.00           H  
HETATM   76  H   UNL     1       1.374   4.030   1.170  1.00  0.00           H  
HETATM   77  H   UNL     1       2.787   0.642  -2.205  1.00  0.00           H  
HETATM   78  H   UNL     1       3.327   2.025  -1.224  1.00  0.00           H  
HETATM   79  H   UNL     1       3.630   0.524   0.726  1.00  0.00           H  
HETATM   80  H   UNL     1       3.091  -0.860  -0.255  1.00  0.00           H  
HETATM   81  H   UNL     1       5.418  -2.869  -1.019  1.00  0.00           H  
HETATM   82  H   UNL     1       9.530   0.712   0.364  1.00  0.00           H  
HETATM   83  H   UNL     1      10.788  -1.417  -1.598  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.385   5.316  -0.257  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    5    5    2                                       
CONECT    5    4    4   51   52                                       
CONECT    6    7    4                                                 
CONECT    7    8   14    6   53                                       
CONECT    8   10    9    7   54                                       
CONECT    9    8   55                                                 
CONECT   10   11   16    8   56                                       
CONECT   11   13   13   12   10                                       
CONECT   12   11   57                                                 
CONECT   13   11   11                                                 
CONECT   14   15   15    7   58                                       
CONECT   15   16   14   14   59                                       
CONECT   16   17   10   15   60                                       
CONECT   17   24   23   16   18                                       
CONECT   18   17   19   61   62                                       
CONECT   19   18   20   63   64                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   65                                                 
CONECT   23   17   66                                                 
CONECT   24   26   26   25   17                                       
CONECT   25   38   24                                                 
CONECT   26   27   36   24   24                                       
CONECT   27   28   26   67   68                                       
CONECT   28   35   35   27   29                                       
CONECT   29   28   31   30   30                                       
CONECT   30   29   29   69                                            
CONECT   31   32   32   29                                            
CONECT   32   34   33   31   31                                       
CONECT   33   32   70   71   72                                       
CONECT   34   35   32   84                                            
CONECT   35   34   28   28   73                                       
CONECT   36   37   26   38   38                                       
CONECT   37   36   74   75   76                                       
CONECT   38   36   36   39   25                                       
CONECT   39   38   40   77   78                                       
CONECT   40   39   41   79   80                                       
CONECT   41   40   42                                                 
CONECT   42   43   43   41   44                                       
CONECT   42   45                                                      
CONECT   43   42   42                                                 
CONECT   44   42   81                                                 
CONECT   45   42   46                                                 
CONECT   46   48   48   45   47                                       
CONECT   46   49                                                      
CONECT   47   46   82                                                 
CONECT   48   46   46                                                 
CONECT   49   46   83                                                 
CONECT   50    1                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   44                                                      
CONECT   82   47                                                      
CONECT   83   49                                                      
CONECT   84   34                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
