COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.203  -2.540  -1.290  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.552  -2.308  -1.921  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.986  -2.153  -0.161  1.00  0.00           O  
HETATM    4  C   UNL     1     -11.457  -1.570  -0.932  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.826  -1.334  -1.572  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.731  -0.596  -0.584  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.101  -0.360  -1.224  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.005   0.378  -0.235  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.375   0.614  -0.876  1.00  0.00           C  
HETATM   10  C   UNL     1     -18.280   1.352   0.113  1.00  0.00           C  
HETATM   11  C   UNL     1     -19.649   1.588  -0.527  1.00  0.00           C  
HETATM   12  C   UNL     1     -20.554   2.326   0.461  1.00  0.00           C  
HETATM   13  C   UNL     1     -21.923   2.562  -0.179  1.00  0.00           C  
HETATM   14  C   UNL     1     -22.828   3.300   0.810  1.00  0.00           C  
HETATM   15  C   UNL     1     -24.198   3.536   0.170  1.00  0.00           C  
HETATM   16  C   UNL     1     -25.103   4.274   1.158  1.00  0.00           C  
HETATM   17  C   UNL     1     -26.472   4.510   0.518  1.00  0.00           C  
HETATM   18  C   UNL     1     -27.377   5.248   1.507  1.00  0.00           C  
HETATM   19  C   UNL     1     -28.746   5.483   0.867  1.00  0.00           C  
HETATM   20  N   UNL     1       9.518   8.722   0.189  1.00  0.00           N  
HETATM   21  O   UNL     1       9.890  -1.518   2.679  1.00  0.00           O  
HETATM   22  P   UNL     1       9.512  -1.809   1.278  1.00  0.00           P  
HETATM   23  C   UNL     1      10.490   3.662  -0.472  1.00  0.00           C  
HETATM   24  S   UNL     1      -7.978  -3.356  -2.165  1.00  0.00           S  
HETATM   25  C   UNL     1      10.009   8.107  -0.871  1.00  0.00           C  
HETATM   26  O   UNL     1      10.419  -3.015   0.717  1.00  0.00           O  
HETATM   27  P   UNL     1       7.010  -3.136   2.152  1.00  0.00           P  
HETATM   28  C   UNL     1      12.028   3.513  -0.347  1.00  0.00           C  
HETATM   29  O   UNL     1      12.702   4.435  -1.206  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.650  -3.340  -0.935  1.00  0.00           C  
HETATM   31  N   UNL     1      10.208   6.806  -0.905  1.00  0.00           N  
HETATM   32  O   UNL     1       7.960  -2.232   1.218  1.00  0.00           O  
HETATM   33  C   UNL     1      12.251   2.055  -0.818  1.00  0.00           C  
HETATM   34  O   UNL     1      12.645   2.028  -2.192  1.00  0.00           O  
HETATM   35  P   UNL     1      14.028   1.375  -2.695  1.00  0.00           P  
HETATM   36  C   UNL     1      -5.415  -4.036  -1.510  1.00  0.00           C  
HETATM   37  C   UNL     1       9.916   6.049   0.147  1.00  0.00           C  
HETATM   38  O   UNL     1       6.536  -2.276   3.428  1.00  0.00           O  
HETATM   39  C   UNL     1      10.875   1.385  -0.638  1.00  0.00           C  
HETATM   40  O   UNL     1       9.992   2.368  -0.072  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.340  -4.023  -0.515  1.00  0.00           N  
HETATM   42  C   UNL     1       9.390   6.655   1.300  1.00  0.00           C  
HETATM   43  O   UNL     1       7.759  -4.327   2.611  1.00  0.00           O  
HETATM   44  C   UNL     1      10.999   0.187   0.306  1.00  0.00           C  
HETATM   45  O   UNL     1       9.746  -0.496   0.375  1.00  0.00           O  
HETATM   46  C   UNL     1      -3.148  -4.584  -0.803  1.00  0.00           C  
HETATM   47  O   UNL     1      -2.966  -5.100  -1.885  1.00  0.00           O  
HETATM   48  C   UNL     1       9.196   8.047   1.288  1.00  0.00           C  
HETATM   49  N   UNL     1       8.682   8.700   2.395  1.00  0.00           N  
HETATM   50  O   UNL     1       5.719  -3.604   1.311  1.00  0.00           O  
HETATM   51  C   UNL     1      -2.042  -4.570   0.221  1.00  0.00           C  
HETATM   52  N   UNL     1       9.184   5.672   2.209  1.00  0.00           N  
HETATM   53  O   UNL     1      14.007  -0.210  -2.414  1.00  0.00           O  
HETATM   54  C   UNL     1      -0.807  -5.266  -0.354  1.00  0.00           C  
HETATM   55  C   UNL     1       9.541   4.529   1.699  1.00  0.00           C  
HETATM   56  O   UNL     1      14.202   1.638  -4.274  1.00  0.00           O  
HETATM   57  N   UNL     1       0.268  -5.253   0.642  1.00  0.00           N  
HETATM   58  N   UNL     1       9.999   4.708   0.428  1.00  0.00           N  
HETATM   59  O   UNL     1      15.158   1.991  -1.964  1.00  0.00           O  
HETATM   60  C   UNL     1       1.459  -5.814   0.354  1.00  0.00           C  
HETATM   61  O   UNL     1       1.612  -6.411  -0.691  1.00  0.00           O  
HETATM   62  C   UNL     1       2.601  -5.700   1.331  1.00  0.00           C  
HETATM   63  O   UNL     1       2.113  -5.205   2.579  1.00  0.00           O  
HETATM   64  C   UNL     1       3.652  -4.736   0.776  1.00  0.00           C  
HETATM   65  C   UNL     1       4.738  -4.504   1.829  1.00  0.00           C  
HETATM   66  C   UNL     1       4.282  -5.337  -0.482  1.00  0.00           C  
HETATM   67  C   UNL     1       2.988  -3.403   0.428  1.00  0.00           C  
HETATM   68  H   UNL     1     -10.433  -1.708  -2.823  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.002  -3.267  -2.179  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.576  -2.170  -0.030  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.007  -0.611  -0.674  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.707  -0.734  -2.474  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.276  -2.293  -1.831  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.850  -1.196   0.318  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.281   0.363  -0.325  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.982   0.240  -2.126  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.551  -1.319  -1.482  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.124  -0.222   0.666  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.555   1.337   0.023  1.00  0.00           H  
HETATM   80  H   UNL     1     -17.256   1.214  -1.777  1.00  0.00           H  
HETATM   81  H   UNL     1     -17.825  -0.345  -1.134  1.00  0.00           H  
HETATM   82  H   UNL     1     -18.399   0.751   1.015  1.00  0.00           H  
HETATM   83  H   UNL     1     -17.830   2.310   0.371  1.00  0.00           H  
HETATM   84  H   UNL     1     -19.530   2.188  -1.429  1.00  0.00           H  
HETATM   85  H   UNL     1     -20.099   0.629  -0.785  1.00  0.00           H  
HETATM   86  H   UNL     1     -20.673   1.725   1.363  1.00  0.00           H  
HETATM   87  H   UNL     1     -20.104   3.284   0.720  1.00  0.00           H  
HETATM   88  H   UNL     1     -21.804   3.162  -1.081  1.00  0.00           H  
HETATM   89  H   UNL     1     -22.374   1.603  -0.437  1.00  0.00           H  
HETATM   90  H   UNL     1     -22.947   2.699   1.712  1.00  0.00           H  
HETATM   91  H   UNL     1     -22.378   4.258   1.068  1.00  0.00           H  
HETATM   92  H   UNL     1     -24.079   4.136  -0.732  1.00  0.00           H  
HETATM   93  H   UNL     1     -24.648   2.577  -0.089  1.00  0.00           H  
HETATM   94  H   UNL     1     -25.222   3.673   2.060  1.00  0.00           H  
HETATM   95  H   UNL     1     -24.652   5.232   1.417  1.00  0.00           H  
HETATM   96  H   UNL     1     -26.353   5.110  -0.384  1.00  0.00           H  
HETATM   97  H   UNL     1     -26.922   3.551   0.260  1.00  0.00           H  
HETATM   98  H   UNL     1     -27.496   4.647   2.409  1.00  0.00           H  
HETATM   99  H   UNL     1     -26.927   6.206   1.765  1.00  0.00           H  
HETATM  100  H   UNL     1     -29.391   6.009   1.571  1.00  0.00           H  
HETATM  101  H   UNL     1     -28.627   6.084  -0.035  1.00  0.00           H  
HETATM  102  H   UNL     1     -29.196   4.525   0.608  1.00  0.00           H  
HETATM  103  H   UNL     1      10.208   3.881  -1.502  1.00  0.00           H  
HETATM  104  H   UNL     1      10.257   8.694  -1.743  1.00  0.00           H  
HETATM  105  H   UNL     1      10.225  -3.260  -0.198  1.00  0.00           H  
HETATM  106  H   UNL     1      12.349   3.641   0.687  1.00  0.00           H  
HETATM  107  H   UNL     1      12.520   5.363  -1.006  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.402  -2.310  -0.682  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.979  -3.865  -0.038  1.00  0.00           H  
HETATM  110  H   UNL     1      13.001   1.564  -0.198  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.663  -5.067  -1.763  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.086  -3.511  -2.407  1.00  0.00           H  
HETATM  113  H   UNL     1       6.038  -1.478   3.202  1.00  0.00           H  
HETATM  114  H   UNL     1      10.493   1.057  -1.605  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.485  -3.611   0.351  1.00  0.00           H  
HETATM  116  H   UNL     1      11.764  -0.493  -0.069  1.00  0.00           H  
HETATM  117  H   UNL     1      11.279   0.535   1.300  1.00  0.00           H  
HETATM  118  H   UNL     1       8.553   9.661   2.375  1.00  0.00           H  
HETATM  119  H   UNL     1       8.451   8.196   3.191  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.794  -3.540   0.474  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.371  -5.096   1.118  1.00  0.00           H  
HETATM  122  H   UNL     1      13.290  -0.679  -2.862  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.055  -6.297  -0.607  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.478  -4.741  -1.250  1.00  0.00           H  
HETATM  125  H   UNL     1       9.482   3.578   2.209  1.00  0.00           H  
HETATM  126  H   UNL     1      15.016   1.272  -4.646  1.00  0.00           H  
HETATM  127  H   UNL     1       0.123  -4.841   1.508  1.00  0.00           H  
HETATM  128  H   UNL     1       3.052  -6.681   1.480  1.00  0.00           H  
HETATM  129  H   UNL     1       1.698  -4.334   2.522  1.00  0.00           H  
HETATM  130  H   UNL     1       5.211  -5.454   2.078  1.00  0.00           H  
HETATM  131  H   UNL     1       4.289  -4.077   2.726  1.00  0.00           H  
HETATM  132  H   UNL     1       3.523  -5.429  -1.259  1.00  0.00           H  
HETATM  133  H   UNL     1       5.084  -4.687  -0.833  1.00  0.00           H  
HETATM  134  H   UNL     1       4.687  -6.322  -0.251  1.00  0.00           H  
HETATM  135  H   UNL     1       2.539  -2.975   1.324  1.00  0.00           H  
HETATM  136  H   UNL     1       3.736  -2.716   0.033  1.00  0.00           H  
HETATM  137  H   UNL     1       2.214  -3.568  -0.322  1.00  0.00           H  
CONECT    1    2    3    3   24                                       
CONECT    2    1    4   68   69                                       
CONECT    3    1    1                                                 
CONECT    4    2    5   70   71                                       
CONECT    5    4    6   72   73                                       
CONECT    6    5    7   74   75                                       
CONECT    7    6    8   76   77                                       
CONECT    8    7    9   78   79                                       
CONECT    9    8   10   80   81                                       
CONECT   10    9   11   82   83                                       
CONECT   11   10   12   84   85                                       
CONECT   12   11   13   86   87                                       
CONECT   13   12   14   88   89                                       
CONECT   14   13   15   90   91                                       
CONECT   15   14   16   92   93                                       
CONECT   16   15   17   94   95                                       
CONECT   17   16   18   96   97                                       
CONECT   18   17   19   98   99                                       
CONECT   19   18  100  101  102                                       
CONECT   20   48   48   25                                            
CONECT   21   22   22                                                 
CONECT   22   21   21   32   26                                       
CONECT   22   45                                                      
CONECT   23   58   28   40  103                                       
CONECT   24    1   30                                                 
CONECT   25   20   31   31  104                                       
CONECT   26   22  105                                                 
CONECT   27   43   43   38   50                                       
CONECT   27   32                                                      
CONECT   28   23   29   33  106                                       
CONECT   29   28  107                                                 
CONECT   30   24   36  108  109                                       
CONECT   31   25   25   37                                            
CONECT   32   22   27                                                 
CONECT   33   28   39   34  110                                       
CONECT   34   33   35                                                 
CONECT   35   34   59   59   53                                       
CONECT   35   56                                                      
CONECT   36   30   41  111  112                                       
CONECT   37   31   42   42   58                                       
CONECT   38   27  113                                                 
CONECT   39   33   44   40  114                                       
CONECT   40   23   39                                                 
CONECT   41   36   46  115                                            
CONECT   42   37   37   52   48                                       
CONECT   43   27   27                                                 
CONECT   44   39   45  116  117                                       
CONECT   45   22   44                                                 
CONECT   46   41   47   47   51                                       
CONECT   47   46   46                                                 
CONECT   48   20   20   42   49                                       
CONECT   49   48  118  119                                            
CONECT   50   27   65                                                 
CONECT   51   46   54  120  121                                       
CONECT   52   42   55   55                                            
CONECT   53   35  122                                                 
CONECT   54   51   57  123  124                                       
CONECT   55   52   52   58  125                                       
CONECT   56   35  126                                                 
CONECT   57   54   60  127                                            
CONECT   58   23   37   55                                            
CONECT   59   35   35                                                 
CONECT   60   57   62   61   61                                       
CONECT   61   60   60                                                 
CONECT   62   60   63   64  128                                       
CONECT   63   62  129                                                 
CONECT   64   62   66   65   67                                       
CONECT   65   50   64  130  131                                       
CONECT   66   64  132  133  134                                       
CONECT   67   64  135  136  137                                       
CONECT   68    2                                                      
CONECT   69    2                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   10                                                      
CONECT   83   10                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   12                                                      
CONECT   87   12                                                      
CONECT   88   13                                                      
CONECT   89   13                                                      
CONECT   90   14                                                      
CONECT   91   14                                                      
CONECT   92   15                                                      
CONECT   93   15                                                      
CONECT   94   16                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   19                                                      
CONECT  101   19                                                      
CONECT  102   19                                                      
CONECT  103   23                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   28                                                      
CONECT  107   29                                                      
CONECT  108   30                                                      
CONECT  109   30                                                      
CONECT  110   33                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   41                                                      
CONECT  116   44                                                      
CONECT  117   44                                                      
CONECT  118   49                                                      
CONECT  119   49                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   53                                                      
CONECT  123   54                                                      
CONECT  124   54                                                      
CONECT  125   55                                                      
CONECT  126   56                                                      
CONECT  127   57                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   65                                                      
CONECT  131   65                                                      
CONECT  132   66                                                      
CONECT  133   66                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   67                                                      
CONECT  137   67                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
