COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.231  -0.294  -1.739  1.00  0.00           N  
HETATM    2  C   UNL     1       8.948  -0.993  -1.591  1.00  0.00           C  
HETATM    3  C   UNL     1       8.073  -0.237  -0.624  1.00  0.00           C  
HETATM    4  O   UNL     1       8.568   0.549   0.155  1.00  0.00           O  
HETATM    5  C   UNL     1       9.195  -2.406  -1.058  1.00  0.00           C  
HETATM    6  C   UNL     1       9.979  -3.212  -2.096  1.00  0.00           C  
HETATM    7  S   UNL     1      10.272  -4.887  -1.464  1.00  0.00           S  
HETATM    8  C   UNL     1      11.196  -5.676  -2.811  1.00  0.00           C  
HETATM    9  N   UNL     1       6.740  -0.435  -0.626  1.00  0.00           N  
HETATM   10  C   UNL     1       5.889   0.299   0.314  1.00  0.00           C  
HETATM   11  C   UNL     1       4.623  -0.480   0.560  1.00  0.00           C  
HETATM   12  O   UNL     1       4.449  -1.545   0.005  1.00  0.00           O  
HETATM   13  C   UNL     1       5.539   1.666  -0.277  1.00  0.00           C  
HETATM   14  C   UNL     1       6.812   2.505  -0.411  1.00  0.00           C  
HETATM   15  C   UNL     1       6.462   3.872  -1.002  1.00  0.00           C  
HETATM   16  N   UNL     1       7.681   4.675  -1.130  1.00  0.00           N  
HETATM   17  C   UNL     1       7.614   5.943  -1.638  1.00  0.00           C  
HETATM   18  N   UNL     1       6.440   6.448  -2.016  1.00  0.00           N  
HETATM   19  N   UNL     1       8.722   6.673  -1.755  1.00  0.00           N1+
HETATM   20  N   UNL     1       3.685   0.005   1.397  1.00  0.00           N  
HETATM   21  C   UNL     1       2.454  -0.753   1.637  1.00  0.00           C  
HETATM   22  C   UNL     1       1.358   0.190   2.061  1.00  0.00           C  
HETATM   23  O   UNL     1       1.637   1.290   2.490  1.00  0.00           O  
HETATM   24  C   UNL     1       2.697  -1.783   2.742  1.00  0.00           C  
HETATM   25  O   UNL     1       3.102  -1.113   3.937  1.00  0.00           O  
HETATM   26  C   UNL     1       3.796  -2.753   2.302  1.00  0.00           C  
HETATM   27  N   UNL     1       0.068  -0.188   1.963  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.000   0.765   2.272  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.339   0.097   2.086  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.394  -1.061   1.731  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.474   0.788   2.315  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.771   0.112   2.234  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.261   0.135   0.809  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.593   0.665  -0.054  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.778   0.832   3.132  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.337   0.724   4.569  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.285   0.186   4.842  1.00  0.00           O  
HETATM   38  N   UNL     1      -6.112   1.224   5.551  1.00  0.00           N  
HETATM   39  N   UNL     1      -6.443  -0.432   0.494  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.919  -0.409  -0.891  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.422  -0.517  -0.907  1.00  0.00           C  
HETATM   42  O   UNL     1      -9.035  -0.604   0.136  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.315  -1.587  -1.658  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.947  -2.072  -2.035  1.00  0.00           C  
HETATM   45  N   UNL     1      -9.086  -0.516  -2.080  1.00  0.00           N  
HETATM   46  O   UNL     1     -10.096  -2.934  -1.985  1.00  0.00           O  
HETATM   47  C   UNL     1     -10.547  -0.621  -2.095  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.090   0.005  -3.382  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.796   1.483  -3.384  1.00  0.00           C  
HETATM   50  O   UNL     1     -11.183   2.243  -4.421  1.00  0.00           O  
HETATM   51  O   UNL     1     -10.213   1.985  -2.452  1.00  0.00           O  
HETATM   52  N   UNL     1     -12.251  -2.412  -2.038  1.00  0.00           N  
HETATM   53  H   UNL     1      10.710  -0.226  -0.854  1.00  0.00           H  
HETATM   54  H   UNL     1      10.811  -0.745  -2.431  1.00  0.00           H  
HETATM   55  H   UNL     1       8.452  -1.052  -2.560  1.00  0.00           H  
HETATM   56  H   UNL     1       9.769  -2.349  -0.133  1.00  0.00           H  
HETATM   57  H   UNL     1       8.240  -2.893  -0.864  1.00  0.00           H  
HETATM   58  H   UNL     1       9.405  -3.269  -3.021  1.00  0.00           H  
HETATM   59  H   UNL     1      10.934  -2.725  -2.290  1.00  0.00           H  
HETATM   60  H   UNL     1      10.592  -5.670  -3.718  1.00  0.00           H  
HETATM   61  H   UNL     1      12.121  -5.126  -2.987  1.00  0.00           H  
HETATM   62  H   UNL     1      11.431  -6.704  -2.537  1.00  0.00           H  
HETATM   63  H   UNL     1       6.343  -1.064  -1.250  1.00  0.00           H  
HETATM   64  H   UNL     1       6.421   0.435   1.255  1.00  0.00           H  
HETATM   65  H   UNL     1       5.087   1.533  -1.260  1.00  0.00           H  
HETATM   66  H   UNL     1       4.835   2.177   0.381  1.00  0.00           H  
HETATM   67  H   UNL     1       7.264   2.639   0.572  1.00  0.00           H  
HETATM   68  H   UNL     1       7.515   1.995  -1.069  1.00  0.00           H  
HETATM   69  H   UNL     1       6.009   3.739  -1.984  1.00  0.00           H  
HETATM   70  H   UNL     1       5.758   4.383  -0.344  1.00  0.00           H  
HETATM   71  H   UNL     1       8.535   4.307  -0.855  1.00  0.00           H  
HETATM   72  H   UNL     1       5.634   5.917  -1.931  1.00  0.00           H  
HETATM   73  H   UNL     1       6.393   7.348  -2.377  1.00  0.00           H  
HETATM   74  H   UNL     1       9.576   6.306  -1.480  1.00  0.00           H  
HETATM   75  H   UNL     1       8.674   7.573  -2.116  1.00  0.00           H  
HETATM   76  H   UNL     1       3.824   0.856   1.841  1.00  0.00           H  
HETATM   77  H   UNL     1       2.159  -1.265   0.721  1.00  0.00           H  
HETATM   78  H   UNL     1       1.777  -2.337   2.930  1.00  0.00           H  
HETATM   79  H   UNL     1       2.453  -0.481   4.273  1.00  0.00           H  
HETATM   80  H   UNL     1       4.743  -2.219   2.229  1.00  0.00           H  
HETATM   81  H   UNL     1       3.886  -3.555   3.035  1.00  0.00           H  
HETATM   82  H   UNL     1       3.540  -3.175   1.331  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.153  -1.092   1.689  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.901   1.100   3.305  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.926   1.623   1.603  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.431   1.732   2.533  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.663  -0.922   2.564  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.833   1.882   2.847  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.760   0.373   3.018  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.954   1.655   5.334  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.828   1.155   6.476  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.977  -0.855   1.184  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.617   0.526  -1.364  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.670  -1.570  -2.689  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.228  -1.509  -1.647  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.618  -2.521  -1.186  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.596  -0.446  -2.914  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.958  -0.095  -1.234  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.612  -0.461  -4.243  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.167  -0.151  -3.435  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.972   3.186  -4.377  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.509  -3.347  -1.999  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.932  -1.723  -2.078  1.00  0.00           H  
CONECT    1    2   53   54                                            
CONECT    2    1    3    5   55                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   56   57                                       
CONECT    6    5    7   58   59                                       
CONECT    7    6    8                                                 
CONECT    8    7   60   61   62                                       
CONECT    9   10   63    3                                            
CONECT   10    9   11   13   64                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   65   66                                       
CONECT   14   13   15   67   68                                       
CONECT   15   14   16   69   70                                       
CONECT   16   15   17   71                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   72   73                                            
CONECT   19   17   17   74   75                                       
CONECT   20   21   76   11                                            
CONECT   21   20   22   24   77                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   26   78                                       
CONECT   25   24   79                                                 
CONECT   26   24   80   81   82                                       
CONECT   27   28   83   22                                            
CONECT   28   27   29   84   85                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   32   86   29                                            
CONECT   32   31   33   35   87                                       
CONECT   33   32   34   34   39                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   88   89                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   90   91                                            
CONECT   39   40   92   33                                            
CONECT   40   39   41   43   93                                       
CONECT   41   40   42   42   45                                       
CONECT   42   41   41                                                 
CONECT   43   40   94   95   96                                       
CONECT   44   47   46   46   52                                       
CONECT   45   47   97   41                                            
CONECT   46   44   44                                                 
CONECT   47   44   45   48   98                                       
CONECT   48   47   49   99  100                                       
CONECT   49   48   51   51   50                                       
CONECT   50   49  101                                                 
CONECT   51   49   49                                                 
CONECT   52   44  102  103                                            
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   45                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   50                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
