COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.890  -2.917   0.496  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.106  -3.048  -0.887  1.00  0.00           C  
HETATM    3  N   UNL     1     -10.032  -3.920  -1.353  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.195  -4.002  -2.695  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.551  -3.322  -3.669  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.653  -2.479  -3.138  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.376  -2.287  -1.794  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.816  -1.627  -3.803  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.394  -1.342  -1.631  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.080  -0.967  -2.853  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.144   4.018  -2.638  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.110   7.215  -3.692  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.853   5.743  -3.393  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.406   5.487  -2.957  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.551   2.365  -1.937  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.118   2.092  -1.485  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.703   2.879  -0.243  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.447   9.111  -5.006  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.531   9.656  -6.100  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.044   9.550  -5.768  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.282  11.625  -4.624  1.00  0.00           C  
HETATM   22  O   UNL     1     -10.184  12.310  -5.641  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.943  12.176  -3.259  1.00  0.00           C  
HETATM   24  P   UNL     1      -9.346   2.531  -6.815  1.00  0.00           P  
HETATM   25  O   UNL     1      -9.168   3.202  -5.355  1.00  0.00           O  
HETATM   26  O   UNL     1     -10.421   1.351  -6.555  1.00  0.00           O  
HETATM   27  O   UNL     1      -9.703   3.482  -7.919  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.972   1.712  -7.033  1.00  0.00           O  
HETATM   29  S   UNL     1      -8.182  11.917  -2.943  1.00  0.00           S  
HETATM   30  N   UNL     1      -6.131  11.349  -0.570  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.415  10.708  -1.571  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.174  11.177  -2.680  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.950   9.332  -1.131  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.161   8.610  -2.215  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.761   7.305  -1.742  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.567   7.075  -1.078  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.727   7.937  -0.822  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.462   3.322  -1.269  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.587   4.779  -1.773  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.158   5.328  -1.961  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.328   4.775  -3.132  1.00  0.00           C  
HETATM   42  P   UNL     1      -3.812   2.996  -6.942  1.00  0.00           P  
HETATM   43  O   UNL     1      -2.529   2.076  -7.296  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.962   4.210  -7.813  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.609   3.327  -5.373  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.066   1.973  -6.983  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.331   0.022  -6.428  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.345  -1.156  -5.606  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.714  -1.447  -5.252  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.583  -0.309  -5.791  1.00  0.00           C  
HETATM   51  O   UNL     1      -9.197  -0.724  -7.010  1.00  0.00           O  
HETATM   52  C   UNL     1      -7.575   0.799  -6.033  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.041   0.791  -6.202  1.00  0.00           C  
HETATM   54  P   UNL     1      -4.554   4.113  -4.324  1.00  0.00           P  
HETATM   55  O   UNL     1      -4.562   5.624  -4.902  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.912   3.503  -4.127  1.00  0.00           O  
HETATM   57  O   UNL     1      -3.627   4.205  -3.006  1.00  0.00           O  
HETATM   58  C   UNL     1      -2.368   5.607  -0.709  1.00  0.00           C  
HETATM   59  O   UNL     1      -1.656   5.594   0.525  1.00  0.00           O  
HETATM   60  C   UNL     1      -6.686  12.673  -0.727  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.102  12.663  -1.286  1.00  0.00           C  
HETATM   62  N   UNL     1      -7.362   2.579   0.178  1.00  0.00           N  
HETATM   63  N   UNL     1     -10.782   3.777  -2.249  1.00  0.00           N  
HETATM   64  N   UNL     1     -13.230   7.714  -4.749  1.00  0.00           N  
HETATM   65  N   UNL     1     -10.684  10.300  -4.587  1.00  0.00           N  
HETATM   66  H   UNL     1      -8.010  -3.196   0.886  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.649  -2.638   1.089  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.943  -4.710  -3.033  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.334  -0.227  -3.113  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.981  -2.419  -5.681  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.338   3.403  -3.522  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.791   3.665  -1.829  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.167   6.102  -2.081  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.729   5.795  -3.763  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.143   4.048  -3.006  1.00  0.00           H  
HETATM   76  H   UNL     1     -15.147   7.381  -4.002  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.924   7.817  -2.796  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.070   5.157  -4.293  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.543   5.409  -2.610  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.404   7.166  -5.599  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.251   2.098  -1.140  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.809   1.780  -2.825  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.002   1.022  -1.275  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.438   2.334  -2.311  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.768   3.958  -0.412  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.362   2.627   0.595  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.999   3.013   1.012  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.739   2.111  -0.462  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.494   9.219  -5.309  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.311   9.650  -4.063  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.721   9.115  -7.035  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.788  10.708  -6.279  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.743   8.510  -5.609  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.449   9.952  -6.594  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.715   9.811  -3.697  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.528  11.694  -2.471  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.170  13.246  -3.244  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.863   3.810  -5.025  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.371   1.583  -6.482  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.400   1.346  -5.099  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.779  12.111  -0.625  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.471  13.690  -1.367  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.271  10.865   0.313  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.692  13.129   0.268  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.002  13.253  -1.356  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.333   9.447  -0.231  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.832   8.742  -0.852  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.269   9.184  -2.489  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.766   8.497  -3.121  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.382   6.525  -1.935  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.346   5.146  -0.523  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.989   3.288  -0.280  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.852   2.711  -1.943  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.443   2.840  -1.186  1.00  0.00           H  
HETATM  115  H   UNL     1       0.445   4.669  -2.596  1.00  0.00           H  
HETATM  116  H   UNL     1       0.359   5.416  -0.999  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.164   6.314  -2.436  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.782   4.185  -3.875  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.446   5.792  -3.521  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.349   1.853  -8.234  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.178   0.189  -6.502  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.937   1.066  -5.149  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.374  -0.290  -7.478  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.388  -0.006  -5.116  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.066  -1.099  -6.783  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.148   6.290  -4.484  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.950   6.253   0.444  1.00  0.00           H  
CONECT    1    2   66   67                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   68                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    7    8                                       
CONECT    7    2    2    6    9                                       
CONECT    8    6   10   49                                            
CONECT    9    7   10   10                                            
CONECT   10    8    9    9   69                                       
CONECT   11   14   63   71   72                                       
CONECT   12   13   64   76   77                                       
CONECT   13   12   14   78   79                                       
CONECT   14   11   13   73   74                                       
CONECT   15   16   63   81   82                                       
CONECT   16   15   17   83   84                                       
CONECT   17   16   62   85   86                                       
CONECT   18   19   64   89   90                                       
CONECT   19   18   20   91   92                                       
CONECT   20   19   65   93   94                                       
CONECT   21   22   22   23   65                                       
CONECT   22   21   21                                                 
CONECT   23   21   29   96   97                                       
CONECT   24   25   26   27   27                                       
CONECT   24   28                                                      
CONECT   25   24   98                                                 
CONECT   26   24   99                                                 
CONECT   27   24   24                                                 
CONECT   28   24   52                                                 
CONECT   29   23   61                                                 
CONECT   30   31   60  103                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34  106  107                                       
CONECT   34   33   35  108  109                                       
CONECT   35   34   36  110                                            
CONECT   36   35   37   37   58                                       
CONECT   37   36   36                                                 
CONECT   38   39  112  113  114                                       
CONECT   39   38   40   41   58                                       
CONECT   40   39  115  116  117                                       
CONECT   41   39   57  118  119                                       
CONECT   42   43   44   44   45                                       
CONECT   42   46                                                      
CONECT   43   42  120                                                 
CONECT   44   42   42                                                 
CONECT   45   42   54                                                 
CONECT   46   42   53                                                 
CONECT   47   48   52   53  123                                       
CONECT   48   47   49                                                 
CONECT   49    8   48   50   70                                       
CONECT   50   49   51   52  124                                       
CONECT   51   50  125                                                 
CONECT   52   28   47   50  100                                       
CONECT   53   46   47  121  122                                       
CONECT   54   45   55   56   56                                       
CONECT   54   57                                                      
CONECT   55   54  126                                                 
CONECT   56   54   54                                                 
CONECT   57   41   54                                                 
CONECT   58   36   39   59  111                                       
CONECT   59   58  127                                                 
CONECT   60   30   61  104  105                                       
CONECT   61   29   60  101  102                                       
CONECT   62   17   87   88                                            
CONECT   63   11   15   75                                            
CONECT   64   12   18   80                                            
CONECT   65   20   21   95                                            
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    4                                                      
CONECT   69   10                                                      
CONECT   70   49                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   63                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   64                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   17                                                      
CONECT   87   62                                                      
CONECT   88   62                                                      
CONECT   89   18                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   65                                                      
CONECT   96   23                                                      
CONECT   97   23                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   52                                                      
CONECT  101   61                                                      
CONECT  102   61                                                      
CONECT  103   30                                                      
CONECT  104   60                                                      
CONECT  105   60                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   35                                                      
CONECT  111   58                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   38                                                      
CONECT  115   40                                                      
CONECT  116   40                                                      
CONECT  117   40                                                      
CONECT  118   41                                                      
CONECT  119   41                                                      
CONECT  120   43                                                      
CONECT  121   53                                                      
CONECT  122   53                                                      
CONECT  123   47                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   55                                                      
CONECT  127   59                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
