COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.804   3.427  -0.711  1.00  0.00           C  
HETATM    2  N   UNL     1      15.044   3.155   0.029  1.00  0.00           N  
HETATM    3  O   UNL     1      13.261   1.081  -0.925  1.00  0.00           O  
HETATM    4  C   UNL     1      12.982  -0.064  -1.733  1.00  0.00           C  
HETATM    5  N   UNL     1       2.747  -0.562   0.357  1.00  0.00           N  
HETATM    6  O   UNL     1       7.379  -1.205   2.266  1.00  0.00           O  
HETATM    7  C   UNL     1      12.722  -1.273  -0.832  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.047   0.303  -0.074  1.00  0.00           N1+
HETATM    9  O   UNL     1       4.169  -1.046  -1.275  1.00  0.00           O  
HETATM   10  C   UNL     1      11.201  -2.127   0.812  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.616   0.703   0.643  1.00  0.00           N1+
HETATM   12  O   UNL     1      -6.057  -5.461   0.056  1.00  0.00           O  
HETATM   13  C   UNL     1       9.920  -1.782   1.574  1.00  0.00           C  
HETATM   14  C   UNL     1       7.565  -1.393   1.082  1.00  0.00           C  
HETATM   15  C   UNL     1       6.415  -1.298   0.114  1.00  0.00           C  
HETATM   16  C   UNL     1       5.134  -0.953   0.877  1.00  0.00           C  
HETATM   17  C   UNL     1       3.983  -0.857  -0.092  1.00  0.00           C  
HETATM   18  C   UNL     1       1.628  -0.468  -0.584  1.00  0.00           C  
HETATM   19  C   UNL     1       0.347  -0.124   0.179  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.821  -0.026  -0.804  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.624  -3.749  -0.590  1.00  0.00           O  
HETATM   22  S   UNL     1      -6.008  -4.071  -0.562  1.00  0.00           S  
HETATM   23  O   UNL     1      -6.756  -4.195  -1.763  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.882  -3.015   0.626  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.900  -1.575   0.112  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.637  -0.684   1.114  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.528   1.151  -0.241  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.328   2.499  -0.556  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.175   3.143  -1.456  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.213   2.452  -2.039  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.417   1.114  -1.730  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.599   0.468  -0.853  1.00  0.00           C  
HETATM   33  S   UNL     1      -6.933   3.069   0.354  1.00  0.00           S  
HETATM   34  C   UNL     1      -6.734   1.529   1.062  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.649   1.183   2.049  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.373   0.880   1.307  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.028  -0.406   1.001  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.849  -0.662   0.304  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.504   1.913   0.909  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.324   1.583   0.198  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.460   2.614  -0.209  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.768   3.907   0.083  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.928   4.230   0.783  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.789   3.258   1.194  1.00  0.00           C  
HETATM   45  N   UNL     1       8.801  -1.689   0.633  1.00  0.00           N  
HETATM   46  O   UNL     1      11.535  -1.051  -0.068  1.00  0.00           O  
HETATM   47  C   UNL     1      13.519   2.271  -1.673  1.00  0.00           C  
HETATM   48  H   UNL     1      12.976   3.526  -0.008  1.00  0.00           H  
HETATM   49  H   UNL     1      13.913   4.352  -1.276  1.00  0.00           H  
HETATM   50  H   UNL     1      15.814   2.995  -0.604  1.00  0.00           H  
HETATM   51  H   UNL     1      15.253   3.904   0.671  1.00  0.00           H  
HETATM   52  H   UNL     1      12.101   0.129  -2.345  1.00  0.00           H  
HETATM   53  H   UNL     1      13.836  -0.269  -2.379  1.00  0.00           H  
HETATM   54  H   UNL     1       2.598  -0.411   1.304  1.00  0.00           H  
HETATM   55  H   UNL     1      12.598  -2.164  -1.447  1.00  0.00           H  
HETATM   56  H   UNL     1      13.568  -1.412  -0.158  1.00  0.00           H  
HETATM   57  H   UNL     1      12.014  -2.283   1.520  1.00  0.00           H  
HETATM   58  H   UNL     1      11.044  -3.036   0.231  1.00  0.00           H  
HETATM   59  H   UNL     1       9.713  -2.561   2.308  1.00  0.00           H  
HETATM   60  H   UNL     1      10.046  -0.827   2.084  1.00  0.00           H  
HETATM   61  H   UNL     1       6.621  -0.518  -0.620  1.00  0.00           H  
HETATM   62  H   UNL     1       6.288  -2.253  -0.396  1.00  0.00           H  
HETATM   63  H   UNL     1       4.927  -1.732   1.610  1.00  0.00           H  
HETATM   64  H   UNL     1       5.260   0.002   1.386  1.00  0.00           H  
HETATM   65  H   UNL     1       1.835   0.311  -1.318  1.00  0.00           H  
HETATM   66  H   UNL     1       1.502  -1.423  -1.094  1.00  0.00           H  
HETATM   67  H   UNL     1       0.141  -0.903   0.913  1.00  0.00           H  
HETATM   68  H   UNL     1       0.474   0.831   0.689  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.947  -0.982  -1.314  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.614   0.753  -1.538  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.905  -3.372   0.745  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.371  -3.051   1.589  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.877  -1.218  -0.007  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.411  -1.539  -0.850  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.146  -0.746   2.085  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.670  -1.021   1.207  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.017   4.184  -1.696  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.869   2.951  -2.737  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.234   0.579  -2.191  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.773  -0.573  -0.626  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.487   2.026   2.721  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.950   0.310   2.628  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.673  -1.222   1.292  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.589  -1.684   0.069  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.555   2.381  -0.751  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.100   4.696  -0.232  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.148   5.264   1.002  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.686   3.521   1.735  1.00  0.00           H  
HETATM   89  H   UNL     1       8.950  -1.840  -0.314  1.00  0.00           H  
HETATM   90  H   UNL     1      12.650   2.513  -2.283  1.00  0.00           H  
HETATM   91  H   UNL     1      14.384   2.115  -2.317  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.623  -6.143  -0.474  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1   50   51                                            
CONECT    3   47    4                                                 
CONECT    4    3    7   52   53                                       
CONECT    5   17   18   54                                            
CONECT    6   14   14                                                 
CONECT    7    4   46   55   56                                       
CONECT    8   40   20   38   38                                       
CONECT    9   17   17                                                 
CONECT   10   46   13   57   58                                       
CONECT   11   34   34   26   27                                       
CONECT   12   22   92                                                 
CONECT   13   10   45   59   60                                       
CONECT   14    6    6   45   15                                       
CONECT   15   14   16   61   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16    9    9    5                                       
CONECT   18    5   19   65   66                                       
CONECT   19   18   20   67   68                                       
CONECT   20   19    8   69   70                                       
CONECT   21   22   22                                                 
CONECT   22   21   21   23   23                                       
CONECT   22   12   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   25   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   25   11   75   76                                       
CONECT   27   11   28   28   32                                       
CONECT   28   33   27   27   29                                       
CONECT   29   28   30   30   77                                       
CONECT   30   29   29   31   78                                       
CONECT   31   32   32   30   79                                       
CONECT   32   27   31   31   80                                       
CONECT   33   34   28                                                 
CONECT   34   35   11   11   33                                       
CONECT   35   36   34   81   82                                       
CONECT   36   39   35   37   37                                       
CONECT   37   36   36   38   83                                       
CONECT   38    8    8   37   84                                       
CONECT   39   44   44   40   36                                       
CONECT   40   41   41   39    8                                       
CONECT   41   42   40   40   85                                       
CONECT   42   43   43   41   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   43   39   39   88                                       
CONECT   45   13   14   89                                            
CONECT   46    7   10                                                 
CONECT   47    1    3   90   91                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   12                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
