COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.819   1.799  -1.010  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.149   1.741  -0.300  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.216   1.401   0.708  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.585   1.809   0.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.915   1.750   0.868  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.094  -0.205   1.835  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.301  -0.706   0.404  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.280  -0.634   2.702  1.00  0.00           C  
HETATM    9  C   UNL     1       2.220   1.255  -0.829  1.00  0.00           C  
HETATM   10  C   UNL     1       3.583   1.387  -1.458  1.00  0.00           C  
HETATM   11  C   UNL     1       4.641   0.830  -0.504  1.00  0.00           C  
HETATM   12  C   UNL     1       6.025   0.964  -1.143  1.00  0.00           C  
HETATM   13  C   UNL     1       7.083   0.407  -0.189  1.00  0.00           C  
HETATM   14  C   UNL     1       8.467   0.541  -0.827  1.00  0.00           C  
HETATM   15  C   UNL     1       9.525  -0.017   0.127  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.856   1.469  -0.030  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.450   1.391  -0.461  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.805  -0.801   2.403  1.00  0.00           C  
HETATM   19  C   UNL     1      10.909   0.117  -0.512  1.00  0.00           C  
HETATM   20  C   UNL     1      11.967  -0.440   0.443  1.00  0.00           C  
HETATM   21  C   UNL     1      13.351  -0.306  -0.196  1.00  0.00           C  
HETATM   22  C   UNL     1      14.409  -0.863   0.758  1.00  0.00           C  
HETATM   23  C   UNL     1      15.793  -0.729   0.120  1.00  0.00           C  
HETATM   24  C   UNL     1      16.851  -1.286   1.074  1.00  0.00           C  
HETATM   25  C   UNL     1      18.235  -1.153   0.435  1.00  0.00           C  
HETATM   26  C   UNL     1      19.293  -1.710   1.390  1.00  0.00           C  
HETATM   27  C   UNL     1      20.677  -1.576   0.751  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.992   1.322   1.831  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.623   1.480   1.138  1.00  0.00           N  
HETATM   30  O   UNL     1      -4.452   2.257  -1.355  1.00  0.00           O  
HETATM   31  O   UNL     1       2.106   0.763   0.274  1.00  0.00           O  
HETATM   32  O   UNL     1      -9.211   2.339  -0.150  1.00  0.00           O  
HETATM   33  O   UNL     1     -11.243   1.883   1.427  1.00  0.00           O  
HETATM   34  O   UNL     1     -10.397  -2.131   0.408  1.00  0.00           O  
HETATM   35  O   UNL     1     -10.808  -4.549  -0.540  1.00  0.00           O  
HETATM   36  O   UNL     1     -11.823  -2.516  -1.639  1.00  0.00           O  
HETATM   37  P   UNL     1     -10.617  -2.999  -0.931  1.00  0.00           P  
HETATM   38  S   UNL     1       0.832   1.799  -1.672  1.00  0.00           S  
HETATM   39  O   UNL     1      -9.333  -2.841  -1.889  1.00  0.00           O  
HETATM   40  H   UNL     1      -2.012   1.262  -1.939  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.828   2.872  -1.202  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.207   0.329   0.900  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.023   1.939   1.636  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.594   2.882  -0.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.778   1.272  -0.770  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.219  -0.280  -0.001  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.456  -0.400  -0.213  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.208  -0.289   2.245  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.297  -1.721   2.782  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.181  -0.197   3.695  1.00  0.00           H  
HETATM   51  H   UNL     1       3.607   0.828  -2.394  1.00  0.00           H  
HETATM   52  H   UNL     1       3.791   2.438  -1.658  1.00  0.00           H  
HETATM   53  H   UNL     1       4.617   1.389   0.431  1.00  0.00           H  
HETATM   54  H   UNL     1       4.433  -0.221  -0.305  1.00  0.00           H  
HETATM   55  H   UNL     1       6.049   0.405  -2.078  1.00  0.00           H  
HETATM   56  H   UNL     1       6.233   2.015  -1.342  1.00  0.00           H  
HETATM   57  H   UNL     1       7.059   0.965   0.747  1.00  0.00           H  
HETATM   58  H   UNL     1       6.875  -0.645   0.011  1.00  0.00           H  
HETATM   59  H   UNL     1       8.491  -0.018  -1.763  1.00  0.00           H  
HETATM   60  H   UNL     1       8.675   1.592  -1.026  1.00  0.00           H  
HETATM   61  H   UNL     1       9.501   0.542   1.063  1.00  0.00           H  
HETATM   62  H   UNL     1       9.317  -1.068   0.326  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.614   1.056   0.813  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.257   1.929   0.468  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.441   0.319  -0.269  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.920  -1.880   2.511  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.978  -0.590   1.726  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.599  -0.359   3.378  1.00  0.00           H  
HETATM   69  H   UNL     1      10.933  -0.441  -1.447  1.00  0.00           H  
HETATM   70  H   UNL     1      11.117   1.169  -0.711  1.00  0.00           H  
HETATM   71  H   UNL     1      11.943   0.119   1.378  1.00  0.00           H  
HETATM   72  H   UNL     1      11.759  -1.491   0.642  1.00  0.00           H  
HETATM   73  H   UNL     1      13.375  -0.865  -1.132  1.00  0.00           H  
HETATM   74  H   UNL     1      14.385  -0.304   1.694  1.00  0.00           H  
HETATM   75  H   UNL     1      15.817  -1.288  -0.816  1.00  0.00           H  
HETATM   76  H   UNL     1      16.001   0.322  -0.080  1.00  0.00           H  
HETATM   77  H   UNL     1      16.827  -0.728   2.010  1.00  0.00           H  
HETATM   78  H   UNL     1      18.259  -1.711  -0.500  1.00  0.00           H  
HETATM   79  H   UNL     1      19.269  -1.151   2.325  1.00  0.00           H  
HETATM   80  H   UNL     1      19.086  -2.761   1.589  1.00  0.00           H  
HETATM   81  H   UNL     1      20.885  -0.525   0.552  1.00  0.00           H  
HETATM   82  H   UNL     1      21.431  -1.973   1.431  1.00  0.00           H  
HETATM   83  H   UNL     1      20.701  -2.135  -0.185  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.743   1.672   2.833  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.380   1.066   1.981  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.527   1.613   0.543  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.946  -5.132  -1.299  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.505  -3.139  -1.489  1.00  0.00           H  
HETATM   89  H   UNL     1      13.559   0.745  -0.395  1.00  0.00           H  
HETATM   90  H   UNL     1      14.201  -1.914   0.957  1.00  0.00           H  
HETATM   91  H   UNL     1      16.643  -2.338   1.273  1.00  0.00           H  
HETATM   92  H   UNL     1      18.443  -0.101   0.236  1.00  0.00           H  
CONECT    1   16   17   40   41                                       
CONECT    2   30   30    3   16                                       
CONECT    3    4    2   42   43                                       
CONECT    4   29    3   44   45                                       
CONECT    5   28   32   32   29                                       
CONECT    6    7   18    8   28                                       
CONECT    7   34    6   46   47                                       
CONECT    8    6   48   49   50                                       
CONECT    9   31   31   38   10                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   13   11   55   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   14   19   61   62                                       
CONECT   16    2    1   63                                            
CONECT   17    1   38   64   65                                       
CONECT   18    6   66   67   68                                       
CONECT   19   15   20   69   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   20   22   73   89                                       
CONECT   22   21   23   74   90                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   25   77   91                                       
CONECT   25   24   26   78   92                                       
CONECT   26   25   27   79   80                                       
CONECT   27   26   81   82   83                                       
CONECT   28    6   33    5   84                                       
CONECT   29    5    4   85                                            
CONECT   30    2    2                                                 
CONECT   31    9    9                                                 
CONECT   32    5    5                                                 
CONECT   33   28   86                                                 
CONECT   34   37    7                                                 
CONECT   35   37   87                                                 
CONECT   36   37   37                                                 
CONECT   37   36   36   35   34                                       
CONECT   37   39                                                      
CONECT   38   17    9                                                 
CONECT   39   37   88                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   33                                                      
CONECT   87   35                                                      
CONECT   88   39                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
