COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.861   2.648   1.004  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.459   2.450   0.600  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.156  -0.884  -0.845  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.939  -1.469  -0.378  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.008   4.934   0.779  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.881   3.720   0.153  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.119   3.911  -0.961  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.292   5.852  -0.008  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.774   5.163  -1.053  1.00  0.00           N  
HETATM   10  C   UNL     1       2.113  -5.214   1.772  1.00  0.00           C  
HETATM   11  O   UNL     1     -10.130  -1.328   0.985  1.00  0.00           O  
HETATM   12  C   UNL     1       3.400  -6.038   1.697  1.00  0.00           C  
HETATM   13  O   UNL     1      -8.656  -1.768  -1.016  1.00  0.00           O  
HETATM   14  C   UNL     1       1.598  -4.942   0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.254   7.194   0.407  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.623   5.365   1.875  1.00  0.00           N  
HETATM   17  C   UNL     1       1.055  -5.992   2.558  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.784  -2.975  -0.424  1.00  0.00           O  
HETATM   19  C   UNL     1       2.397  -3.886   2.475  1.00  0.00           C  
HETATM   20  O   UNL     1       0.396  -4.173   0.427  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.564   6.633   2.223  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.896   7.531   1.521  1.00  0.00           N  
HETATM   23  O   UNL     1     -10.124   0.284  -1.092  1.00  0.00           O  
HETATM   24  P   UNL     1      -9.221  -0.687  -0.179  1.00  0.00           P  
HETATM   25  O   UNL     1      -8.022   0.161   0.482  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.982   0.768  -0.287  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.884   2.277   0.030  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.564   8.143  -0.326  1.00  0.00           N  
HETATM   29  O   UNL     1      -4.709   1.339   0.062  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.604   0.207   0.130  1.00  0.00           C  
HETATM   31  P   UNL     1      -3.180  -2.655  -1.160  1.00  0.00           P  
HETATM   32  O   UNL     1      -2.917  -2.237  -2.555  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.102  -3.974  -1.160  1.00  0.00           O  
HETATM   34  P   UNL     1      -0.422  -3.704  -0.878  1.00  0.00           P  
HETATM   35  O   UNL     1       0.476  -2.678  -1.734  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.748  -4.885  -1.708  1.00  0.00           O  
HETATM   37  O   UNL     1       3.109  -7.330   1.161  1.00  0.00           O  
HETATM   38  C   UNL     1       4.393  -5.337   0.805  1.00  0.00           C  
HETATM   39  O   UNL     1       4.698  -5.824  -0.263  1.00  0.00           O  
HETATM   40  N   UNL     1       4.942  -4.170   1.196  1.00  0.00           N  
HETATM   41  C   UNL     1       5.833  -3.440   0.289  1.00  0.00           C  
HETATM   42  C   UNL     1       6.315  -2.158   0.971  1.00  0.00           C  
HETATM   43  C   UNL     1       7.231  -1.408   0.039  1.00  0.00           C  
HETATM   44  O   UNL     1       7.474  -1.854  -1.062  1.00  0.00           O  
HETATM   45  N   UNL     1       7.780  -0.240   0.429  1.00  0.00           N  
HETATM   46  C   UNL     1       8.671   0.489  -0.477  1.00  0.00           C  
HETATM   47  C   UNL     1       9.153   1.771   0.205  1.00  0.00           C  
HETATM   48  S   UNL     1      10.253   2.673  -0.915  1.00  0.00           S  
HETATM   49  C   UNL     1      10.636   4.022   0.067  1.00  0.00           C  
HETATM   50  O   UNL     1      10.164   4.115   1.181  1.00  0.00           O  
HETATM   51  C   UNL     1      11.558   5.095  -0.452  1.00  0.00           C  
HETATM   52  C   UNL     1      12.920   4.480  -0.783  1.00  0.00           C  
HETATM   53  C   UNL     1      10.958   5.715  -1.716  1.00  0.00           C  
HETATM   54  C   UNL     1      11.733   6.178   0.614  1.00  0.00           C  
HETATM   55  H   UNL     1      -7.806   3.572   1.285  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.476   2.404   1.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.996  -0.448  -1.830  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.927  -1.652  -0.908  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.842   3.139  -1.662  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.873  -1.854   0.659  1.00  0.00           H  
HETATM   61  H   UNL     1       3.822  -6.145   2.696  1.00  0.00           H  
HETATM   62  H   UNL     1       2.351  -4.388  -0.203  1.00  0.00           H  
HETATM   63  H   UNL     1       1.396  -5.889  -0.144  1.00  0.00           H  
HETATM   64  H   UNL     1       0.120  -5.433   2.560  1.00  0.00           H  
HETATM   65  H   UNL     1       0.897  -6.964   2.091  1.00  0.00           H  
HETATM   66  H   UNL     1       1.396  -6.133   3.584  1.00  0.00           H  
HETATM   67  H   UNL     1       3.063  -3.283   1.858  1.00  0.00           H  
HETATM   68  H   UNL     1       1.461  -3.349   2.631  1.00  0.00           H  
HETATM   69  H   UNL     1       2.870  -4.079   3.439  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.076   6.951   3.120  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.527   1.017  -0.607  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.153   0.609  -1.351  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.007   2.869  -0.877  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.099   7.885  -1.138  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.546   9.066  -0.030  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.644  -0.184   1.146  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.315  -4.305  -0.276  1.00  0.00           H  
HETATM   78  H   UNL     1       0.727  -1.878  -1.251  1.00  0.00           H  
HETATM   79  H   UNL     1       2.730  -7.311   0.272  1.00  0.00           H  
HETATM   80  H   UNL     1       4.748  -3.813   2.076  1.00  0.00           H  
HETATM   81  H   UNL     1       6.691  -4.065   0.042  1.00  0.00           H  
HETATM   82  H   UNL     1       5.293  -3.185  -0.623  1.00  0.00           H  
HETATM   83  H   UNL     1       5.457  -1.533   1.219  1.00  0.00           H  
HETATM   84  H   UNL     1       6.855  -2.413   1.884  1.00  0.00           H  
HETATM   85  H   UNL     1       7.586   0.117   1.310  1.00  0.00           H  
HETATM   86  H   UNL     1       9.529  -0.135  -0.725  1.00  0.00           H  
HETATM   87  H   UNL     1       8.131   0.744  -1.389  1.00  0.00           H  
HETATM   88  H   UNL     1       8.295   2.396   0.453  1.00  0.00           H  
HETATM   89  H   UNL     1       9.693   1.517   1.117  1.00  0.00           H  
HETATM   90  H   UNL     1      12.795   3.709  -1.543  1.00  0.00           H  
HETATM   91  H   UNL     1      13.587   5.256  -1.159  1.00  0.00           H  
HETATM   92  H   UNL     1      13.347   4.038   0.117  1.00  0.00           H  
HETATM   93  H   UNL     1       9.988   6.153  -1.480  1.00  0.00           H  
HETATM   94  H   UNL     1      11.625   6.491  -2.092  1.00  0.00           H  
HETATM   95  H   UNL     1      10.834   4.944  -2.476  1.00  0.00           H  
HETATM   96  H   UNL     1      12.160   5.736   1.514  1.00  0.00           H  
HETATM   97  H   UNL     1      12.400   6.954   0.238  1.00  0.00           H  
HETATM   98  H   UNL     1      10.763   6.616   0.850  1.00  0.00           H  
CONECT    1   27   55                                                 
CONECT    2   27    6   29   56                                       
CONECT    3   30    4   57   58                                       
CONECT    4    3   31                                                 
CONECT    5   16    8    8    6                                       
CONECT    6    5    2    7                                            
CONECT    7    6    9    9   59                                       
CONECT    8    5    5   15    9                                       
CONECT    9    8    7    7                                            
CONECT   10   17   14   19   12                                       
CONECT   11   24   60                                                 
CONECT   12   10   37   38   61                                       
CONECT   13   24   24                                                 
CONECT   14   20   10   62   63                                       
CONECT   15   22   22   28    8                                       
CONECT   16   21   21    5                                            
CONECT   17   10   64   65   66                                       
CONECT   18   31   34                                                 
CONECT   19   10   67   68   69                                       
CONECT   20   34   14                                                 
CONECT   21   16   16   22   70                                       
CONECT   22   21   15   15                                            
CONECT   23   24   71                                                 
CONECT   24   13   13   11   23                                       
CONECT   24   25                                                      
CONECT   25   24   26                                                 
CONECT   26   27   25   30   72                                       
CONECT   27    1    2   26   73                                       
CONECT   28   15   74   75                                            
CONECT   29    2   30                                                 
CONECT   30   26   29    3   76                                       
CONECT   31    4   32   32   18                                       
CONECT   31   33                                                      
CONECT   32   31   31                                                 
CONECT   33   31   77                                                 
CONECT   34   18   36   36   35                                       
CONECT   34   20                                                      
CONECT   35   34   78                                                 
CONECT   36   34   34                                                 
CONECT   37   12   79                                                 
CONECT   38   12   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   80                                            
CONECT   41   40   42   81   82                                       
CONECT   42   41   43   83   84                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   85                                            
CONECT   46   45   47   86   87                                       
CONECT   47   46   48   88   89                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   54   53   52                                       
CONECT   52   51   90   91   92                                       
CONECT   53   51   93   94   95                                       
CONECT   54   51   96   97   98                                       
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    7                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   52                                                      
CONECT   91   52                                                      
CONECT   92   52                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   54                                                      
CONECT   98   54                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
