COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.167   1.246  -2.274  1.00  0.00           O  
HETATM    2  C   UNL     1       5.547   1.435  -1.133  1.00  0.00           C  
HETATM    3  N   UNL     1       6.760   0.997  -0.746  1.00  0.00           N  
HETATM    4  C   UNL     1       7.823   0.762  -1.733  1.00  0.00           C  
HETATM    5  C   UNL     1       8.353  -0.664  -1.559  1.00  0.00           C  
HETATM    6  C   UNL     1       8.789  -0.867  -0.106  1.00  0.00           C  
HETATM    7  C   UNL     1       9.341  -2.260   0.060  1.00  0.00           C  
HETATM    8  C   UNL     1      10.646  -2.441   0.478  1.00  0.00           C  
HETATM    9  C   UNL     1      11.153  -3.718   0.630  1.00  0.00           C  
HETATM   10  C   UNL     1      12.575  -3.915   1.086  1.00  0.00           C  
HETATM   11  N   UNL     1      12.614  -3.991   2.552  1.00  0.00           N  
HETATM   12  C   UNL     1      10.354  -4.814   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1       9.049  -4.633  -0.055  1.00  0.00           C  
HETATM   14  C   UNL     1       8.541  -3.356  -0.201  1.00  0.00           C  
HETATM   15  C   UNL     1       7.586  -0.682   0.821  1.00  0.00           C  
HETATM   16  C   UNL     1       7.049   0.750   0.674  1.00  0.00           C  
HETATM   17  C   UNL     1       4.683   2.148  -0.180  1.00  0.00           C  
HETATM   18  S   UNL     1       5.175   2.654   1.426  1.00  0.00           S  
HETATM   19  C   UNL     1       3.418   2.504  -0.421  1.00  0.00           C  
HETATM   20  C   UNL     1       2.769   3.179   0.626  1.00  0.00           C  
HETATM   21  C   UNL     1       3.593   3.354   1.745  1.00  0.00           C  
HETATM   22  C   UNL     1       3.099   4.011   2.877  1.00  0.00           C  
HETATM   23  C   UNL     1       1.808   4.479   2.896  1.00  0.00           C  
HETATM   24  C   UNL     1       0.984   4.303   1.791  1.00  0.00           C  
HETATM   25  C   UNL     1       1.445   3.678   0.675  1.00  0.00           C  
HETATM   26 SI   UNL     1       0.319   3.465  -0.800  1.00  0.00          Si  
HETATM   27  C   UNL     1      -1.334   4.245  -0.437  1.00  0.00           C  
HETATM   28  C   UNL     1       1.081   4.288  -2.287  1.00  0.00           C  
HETATM   29  O   UNL     1       0.115   1.876  -1.103  1.00  0.00           O  
HETATM   30 SI   UNL     1      -0.447   1.024   0.169  1.00  0.00          Si  
HETATM   31  C   UNL     1       0.875   0.917   1.477  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.948   1.876   0.872  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.912  -0.696  -0.389  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.179  -0.925  -0.978  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.502  -2.225  -1.388  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.579  -3.261  -1.211  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.358  -3.007  -0.636  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.030  -1.718  -0.232  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.213  -0.009  -1.228  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.308  -0.516  -1.802  1.00  0.00           C  
HETATM   41  S   UNL     1      -4.119  -2.239  -2.082  1.00  0.00           S  
HETATM   42  C   UNL     1      -5.506   0.261  -2.151  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.391   1.365  -2.649  1.00  0.00           O  
HETATM   44  N   UNL     1      -6.732  -0.250  -1.918  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.934   0.571  -2.117  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.769   0.541  -0.832  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.056  -0.913  -0.450  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.737  -1.643  -0.186  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.891  -1.639  -1.468  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.906  -0.946   0.794  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.152  -1.544   0.764  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.932  -1.575   1.906  1.00  0.00           C  
HETATM   53  C   UNL     1     -13.290  -2.227   1.873  1.00  0.00           C  
HETATM   54  N   UNL     1     -13.160  -3.648   2.221  1.00  0.00           N  
HETATM   55  C   UNL     1     -11.465  -1.008   3.077  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.219  -0.410   3.106  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.438  -0.383   1.967  1.00  0.00           C  
HETATM   58  H   UNL     1       7.419   0.882  -2.739  1.00  0.00           H  
HETATM   59  H   UNL     1       8.631   1.477  -1.577  1.00  0.00           H  
HETATM   60  H   UNL     1       7.566  -1.377  -1.805  1.00  0.00           H  
HETATM   61  H   UNL     1       9.205  -0.819  -2.220  1.00  0.00           H  
HETATM   62  H   UNL     1       9.559  -0.139   0.149  1.00  0.00           H  
HETATM   63  H   UNL     1      11.270  -1.584   0.687  1.00  0.00           H  
HETATM   64  H   UNL     1      12.967  -4.841   0.664  1.00  0.00           H  
HETATM   65  H   UNL     1      13.184  -3.076   0.749  1.00  0.00           H  
HETATM   66  H   UNL     1      12.006  -4.721   2.893  1.00  0.00           H  
HETATM   67  H   UNL     1      13.558  -4.123   2.883  1.00  0.00           H  
HETATM   68  H   UNL     1      10.749  -5.812   0.482  1.00  0.00           H  
HETATM   69  H   UNL     1       8.425  -5.490  -0.263  1.00  0.00           H  
HETATM   70  H   UNL     1       7.521  -3.215  -0.528  1.00  0.00           H  
HETATM   71  H   UNL     1       6.806  -1.395   0.552  1.00  0.00           H  
HETATM   72  H   UNL     1       7.893  -0.850   1.854  1.00  0.00           H  
HETATM   73  H   UNL     1       7.796   1.459   1.029  1.00  0.00           H  
HETATM   74  H   UNL     1       6.133   0.858   1.256  1.00  0.00           H  
HETATM   75  H   UNL     1       2.927   2.288  -1.358  1.00  0.00           H  
HETATM   76  H   UNL     1       3.735   4.149   3.739  1.00  0.00           H  
HETATM   77  H   UNL     1       1.431   4.985   3.773  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.030   4.674   1.815  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.233   5.331  -0.445  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.053   3.942  -1.198  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.682   3.920   0.543  1.00  0.00           H  
HETATM   82  H   UNL     1       2.003   3.773  -2.555  1.00  0.00           H  
HETATM   83  H   UNL     1       0.384   4.244  -3.124  1.00  0.00           H  
HETATM   84  H   UNL     1       1.302   5.330  -2.053  1.00  0.00           H  
HETATM   85  H   UNL     1       0.961   1.876   1.987  1.00  0.00           H  
HETATM   86  H   UNL     1       0.611   0.144   2.198  1.00  0.00           H  
HETATM   87  H   UNL     1       1.828   0.667   1.010  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.540   2.297   0.060  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.550   1.154   1.424  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.631   2.674   1.543  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.828  -4.264  -1.527  1.00  0.00           H  
HETATM   92  H   UNL     1       0.352  -3.810  -0.501  1.00  0.00           H  
HETATM   93  H   UNL     1       0.935  -1.527   0.215  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.129   1.037  -0.973  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.643   1.598  -2.339  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.520   0.168  -2.943  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.217   1.026  -0.028  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.710   1.066  -0.998  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.587  -1.405  -1.265  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.195  -1.137   0.613  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.944  -2.672   0.110  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.393  -2.219  -2.243  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.912  -2.071  -1.263  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.516  -1.988  -0.151  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.946  -1.735   2.592  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.713  -2.135   0.873  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.710  -3.761   3.117  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.058  -4.108   2.206  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.074  -1.032   3.968  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.855   0.034   4.021  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.462   0.080   1.991  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   17                                       
CONECT    3   16    4    2                                            
CONECT    4    5    3   58   59                                       
CONECT    5    6    4   60   61                                       
CONECT    6    7   15    5   62                                       
CONECT    7   14   14    8    6                                       
CONECT    8    9    9    7   63                                       
CONECT    9   12   10    8    8                                       
CONECT   10   11    9   64   65                                       
CONECT   11   10   66   67                                            
CONECT   12   13   13    9   68                                       
CONECT   13   12   12   14   69                                       
CONECT   14   13    7    7   70                                       
CONECT   15    6   16   71   72                                       
CONECT   16   15    3   73   74                                       
CONECT   17    2   19   19   18                                       
CONECT   18   17   21                                                 
CONECT   19   17   17   20   75                                       
CONECT   20   19   21   21   25                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23   23   76                                       
CONECT   23   22   22   24   77                                       
CONECT   24   25   25   23   78                                       
CONECT   25   26   20   24   24                                       
CONECT   26   27   28   25   29                                       
CONECT   27   26   79   80   81                                       
CONECT   28   26   82   83   84                                       
CONECT   29   26   30                                                 
CONECT   30   31   29   33   32                                       
CONECT   31   30   85   86   87                                       
CONECT   32   30   88   89   90                                       
CONECT   33   30   38   38   34                                       
CONECT   34   33   39   35   35                                       
CONECT   35   34   34   36   41                                       
CONECT   36   37   37   35   91                                       
CONECT   37   38   36   36   92                                       
CONECT   38   33   33   37   93                                       
CONECT   39   34   40   40   94                                       
CONECT   40   39   39   42   41                                       
CONECT   41   35   40                                                 
CONECT   42   43   43   40   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   49   45                                            
CONECT   45   44   46   95   96                                       
CONECT   46   45   47   97   98                                       
CONECT   47   48   46   50   99                                       
CONECT   48   49   47  100  101                                       
CONECT   49   44   48  102  103                                       
CONECT   50   47   51   51   57                                       
CONECT   51   50   50   52  104                                       
CONECT   52   51   53   55   55                                       
CONECT   53   54   52  105  106                                       
CONECT   54   53  107  108                                            
CONECT   55   52   52   56  109                                       
CONECT   56   57   57   55  110                                       
CONECT   57   50   56   56  111                                       
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   19                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   51                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   57                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
