COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.673  -0.577  -0.423  1.00  0.00           C  
HETATM    2  N   UNL     1       5.197   2.223  -0.385  1.00  0.00           N  
HETATM    3  O   UNL     1       6.572   2.200   1.356  1.00  0.00           O  
HETATM    4  C   UNL     1      12.489   0.705  -0.760  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.402  -2.113   0.614  1.00  0.00           N  
HETATM    6  O   UNL     1       0.747  -0.850  -1.245  1.00  0.00           O  
HETATM    7  C   UNL     1      11.298   1.073   0.126  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.716   4.312   0.812  1.00  0.00           N1+
HETATM    9  O   UNL     1      -1.048  -2.589   0.174  1.00  0.00           O  
HETATM   10  C   UNL     1      10.040   1.200  -0.736  1.00  0.00           C  
HETATM   11  N   UNL     1      13.419   0.159   1.447  1.00  0.00           N  
HETATM   12  O   UNL     1      -5.318  -1.982   2.209  1.00  0.00           O  
HETATM   13  C   UNL     1       8.849   1.568   0.150  1.00  0.00           C  
HETATM   14  N   UNL     1      14.733  -1.508   0.715  1.00  0.00           N  
HETATM   15  C   UNL     1       7.591   1.695  -0.712  1.00  0.00           C  
HETATM   16  C   UNL     1       6.418   2.057   0.161  1.00  0.00           C  
HETATM   17  C   UNL     1       4.056   2.575   0.464  1.00  0.00           C  
HETATM   18  C   UNL     1       2.799   2.703  -0.399  1.00  0.00           C  
HETATM   19  C   UNL     1       1.309   1.437  -1.786  1.00  0.00           C  
HETATM   20  C   UNL     1       1.059   0.029  -2.328  1.00  0.00           C  
HETATM   21  C   UNL     1       0.494  -2.199  -1.645  1.00  0.00           C  
HETATM   22  O   UNL     1      13.875  -1.584   2.790  1.00  0.00           O  
HETATM   23  C   UNL     1      14.000  -1.016   1.723  1.00  0.00           C  
HETATM   24  C   UNL     1      13.775   0.561   0.077  1.00  0.00           C  
HETATM   25  S   UNL     1      12.279  -0.991  -1.472  1.00  0.00           S  
HETATM   26  C   UNL     1      14.082  -1.307  -1.645  1.00  0.00           C  
HETATM   27  O   UNL     1       2.474   1.429  -0.959  1.00  0.00           O  
HETATM   28  C   UNL     1       0.173  -3.045  -0.412  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.441  -3.316   1.339  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.754  -2.745   1.879  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.823  -2.971   0.903  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.075  -2.549   1.165  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.175  -2.782   0.161  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.534  -2.699   0.037  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.113  -3.924   0.397  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.223  -4.404  -0.261  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.799  -3.690  -1.295  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.249  -2.475  -1.665  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.140  -1.989  -1.005  1.00  0.00           C  
HETATM   40  S   UNL     1      -8.210  -0.487  -1.195  1.00  0.00           S  
HETATM   41  C   UNL     1      -7.319  -0.651   0.402  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.038   0.111   1.517  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.930   1.592   1.263  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.848   2.251   0.424  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.893   1.556  -0.206  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.761   2.230  -1.010  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.625   3.601  -1.218  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.624   4.306  -0.624  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.709   3.646   0.214  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.583   5.754   0.588  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.863   3.703   1.598  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.943   2.334   1.847  1.00  0.00           C  
HETATM   53  H   UNL     1      15.669  -0.199  -0.654  1.00  0.00           H  
HETATM   54  H   UNL     1       5.074   2.109  -1.341  1.00  0.00           H  
HETATM   55  H   UNL     1      12.625   1.442  -1.552  1.00  0.00           H  
HETATM   56  H   UNL     1      11.148   0.295   0.875  1.00  0.00           H  
HETATM   57  H   UNL     1      11.494   2.022   0.624  1.00  0.00           H  
HETATM   58  H   UNL     1      10.190   1.978  -1.485  1.00  0.00           H  
HETATM   59  H   UNL     1       9.843   0.251  -1.234  1.00  0.00           H  
HETATM   60  H   UNL     1      12.854   0.664   2.052  1.00  0.00           H  
HETATM   61  H   UNL     1       8.699   0.790   0.899  1.00  0.00           H  
HETATM   62  H   UNL     1       9.046   2.517   0.648  1.00  0.00           H  
HETATM   63  H   UNL     1      15.225  -2.345   0.732  1.00  0.00           H  
HETATM   64  H   UNL     1       7.741   2.473  -1.460  1.00  0.00           H  
HETATM   65  H   UNL     1       7.394   0.746  -1.210  1.00  0.00           H  
HETATM   66  H   UNL     1       3.906   1.797   1.212  1.00  0.00           H  
HETATM   67  H   UNL     1       4.253   3.525   0.961  1.00  0.00           H  
HETATM   68  H   UNL     1       1.969   3.051   0.217  1.00  0.00           H  
HETATM   69  H   UNL     1       2.980   3.417  -1.202  1.00  0.00           H  
HETATM   70  H   UNL     1       1.459   2.125  -2.618  1.00  0.00           H  
HETATM   71  H   UNL     1       0.449   1.759  -1.199  1.00  0.00           H  
HETATM   72  H   UNL     1       1.952  -0.328  -2.840  1.00  0.00           H  
HETATM   73  H   UNL     1       0.224   0.052  -3.029  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.353  -2.221  -2.332  1.00  0.00           H  
HETATM   75  H   UNL     1       1.376  -2.602  -2.143  1.00  0.00           H  
HETATM   76  H   UNL     1      14.324   1.503   0.091  1.00  0.00           H  
HETATM   77  H   UNL     1      14.463  -0.877  -2.571  1.00  0.00           H  
HETATM   78  H   UNL     1      14.293  -2.375  -1.598  1.00  0.00           H  
HETATM   79  H   UNL     1       0.981  -2.951   0.313  1.00  0.00           H  
HETATM   80  H   UNL     1       0.067  -4.089  -0.705  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.580  -4.367   1.082  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.666  -3.228   2.101  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.008  -3.240   2.816  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.641  -1.675   2.052  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.628  -3.424   0.067  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.358  -3.852   0.064  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.876  -2.375  -0.806  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.681  -4.501   1.202  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.650  -5.351   0.035  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.667  -4.076  -1.808  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.689  -1.907  -2.472  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.283  -0.325   0.310  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.089  -0.179   1.536  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.578  -0.128   2.476  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.008   0.493  -0.053  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.564   1.694  -1.495  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.326   4.112  -1.861  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.534   5.368  -0.795  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.158   6.293   1.340  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.533   6.037   0.661  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.076   4.277   2.066  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.222   1.859   2.496  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.958   6.004  -0.405  1.00  0.00           H  
CONECT    1   24   26   14   53                                       
CONECT    2   17   16   54                                            
CONECT    3   16   16                                                 
CONECT    4    7   25   24   55                                       
CONECT    5   34   33   41                                            
CONECT    6   20   21                                                 
CONECT    7   10    4   56   57                                       
CONECT    8   51   51   49   50                                       
CONECT    9   28   29                                                 
CONECT   10   13    7   58   59                                       
CONECT   11   24   23   60                                            
CONECT   12   32   32                                                 
CONECT   13   15   10   61   62                                       
CONECT   14   23    1   63                                            
CONECT   15   16   13   64   65                                       
CONECT   16    2    3    3   15                                       
CONECT   17   18    2   66   67                                       
CONECT   18   27   17   68   69                                       
CONECT   19   20   27   70   71                                       
CONECT   20   19    6   72   73                                       
CONECT   21    6   28   74   75                                       
CONECT   22   23   23                                                 
CONECT   23   11   22   22   14                                       
CONECT   24    4   11    1   76                                       
CONECT   25    4   26                                                 
CONECT   26   25    1   77   78                                       
CONECT   27   19   18                                                 
CONECT   28   21    9   79   80                                       
CONECT   29    9   30   81   82                                       
CONECT   30   29   31   83   84                                       
CONECT   31   30   32   85                                            
CONECT   32   31   12   12   33                                       
CONECT   33   32    5   86   87                                       
CONECT   34   35   35   39    5                                       
CONECT   35   36   34   34   88                                       
CONECT   36   37   37   35   89                                       
CONECT   37   36   36   38   90                                       
CONECT   38   37   39   39   91                                       
CONECT   39   38   38   34   40                                       
CONECT   40   39   41                                                 
CONECT   41    5   40   42   92                                       
CONECT   42   41   43   93   94                                       
CONECT   43   42   52   52   44                                       
CONECT   44   43   45   45   49                                       
CONECT   45   44   44   46   95                                       
CONECT   46   45   47   47   96                                       
CONECT   47   46   46   48   97                                       
CONECT   48   49   49   47   98                                       
CONECT   49   44    8   48   48                                       
CONECT   50    8   99  100  103                                       
CONECT   51   52    8    8  101                                       
CONECT   52   43   43   51  102                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    4                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   50                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
