COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -4.543   0.641  -0.375  1.00  0.00           P  
HETATM    2  P   UNL     1       1.888  -0.560  -1.109  1.00  0.00           P  
HETATM    3  P   UNL     1       5.984   4.346  -1.610  1.00  0.00           P  
HETATM    4  O   UNL     1       4.885  10.606  -1.585  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.227  -3.104   0.360  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.452  -4.164  -0.322  1.00  0.00           N  
HETATM    7  C   UNL     1       7.192   0.380   1.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.226   1.428   1.281  1.00  0.00           C  
HETATM    9  N   UNL     1     -14.356   0.468   0.702  1.00  0.00           N  
HETATM   10  N   UNL     1       2.838  -7.911  -1.251  1.00  0.00           N  
HETATM   11  N   UNL     1      11.824  -1.518   2.779  1.00  0.00           N  
HETATM   12  O   UNL     1      -5.079   0.178  -1.674  1.00  0.00           O  
HETATM   13  O   UNL     1       2.373  -1.384  -2.239  1.00  0.00           O  
HETATM   14  O   UNL     1       4.918   3.823  -2.697  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.045  -3.688  -0.342  1.00  0.00           C  
HETATM   16  C   UNL     1       7.532   1.737   0.590  1.00  0.00           C  
HETATM   17  O   UNL     1       7.613   2.760   1.585  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.184   0.595   0.510  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.902  -0.622   1.206  1.00  0.00           O  
HETATM   20  C   UNL     1     -13.496   0.112   1.638  1.00  0.00           C  
HETATM   21  N   UNL     1     -13.965  -0.648   2.678  1.00  0.00           N  
HETATM   22  C   UNL     1       2.735  -6.882  -0.428  1.00  0.00           C  
HETATM   23  C   UNL     1      11.109  -0.562   3.332  1.00  0.00           C  
HETATM   24  N   UNL     1      11.589   0.050   4.459  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.870   2.092  -0.557  1.00  0.00           O  
HETATM   26  O   UNL     1       1.039   0.684  -1.676  1.00  0.00           O  
HETATM   27  O   UNL     1       7.340   4.334  -2.204  1.00  0.00           O  
HETATM   28  C   UNL     1       5.274   9.419  -2.279  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.188  -2.172  -0.630  1.00  0.00           C  
HETATM   30  O   UNL     1       0.953  -1.457  -0.153  1.00  0.00           O  
HETATM   31  C   UNL     1       6.347   2.007  -0.369  1.00  0.00           C  
HETATM   32  O   UNL     1       5.955   3.380  -0.322  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.928   1.500   0.471  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.742   0.735   0.696  1.00  0.00           O  
HETATM   35  N   UNL     1     -12.204   0.441   1.644  1.00  0.00           N  
HETATM   36  N   UNL     1       1.575  -6.359  -0.098  1.00  0.00           N  
HETATM   37  N   UNL     1       9.913  -0.161   2.830  1.00  0.00           N  
HETATM   38  C   UNL     1       5.230   8.229  -1.318  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.454  -1.786   0.169  1.00  0.00           C  
HETATM   40  C   UNL     1       5.239   1.095   0.218  1.00  0.00           C  
HETATM   41  O   UNL     1       5.963  -0.078   0.650  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.192   2.472   1.649  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.620   2.693   1.593  1.00  0.00           O  
HETATM   44  C   UNL     1     -11.671   1.168   0.684  1.00  0.00           C  
HETATM   45  C   UNL     1       0.440  -6.862  -0.593  1.00  0.00           C  
HETATM   46  C   UNL     1       9.398  -0.748   1.703  1.00  0.00           C  
HETATM   47  C   UNL     1       5.647   6.958  -2.062  1.00  0.00           C  
HETATM   48  O   UNL     1       5.606   5.846  -1.165  1.00  0.00           O  
HETATM   49  C   UNL     1      -2.298  -0.786  -0.624  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.435  -0.403   0.151  1.00  0.00           O  
HETATM   51  C   UNL     1       4.215   0.730  -0.858  1.00  0.00           C  
HETATM   52  O   UNL     1       3.146  -0.012  -0.267  1.00  0.00           O  
HETATM   53  C   UNL     1      -6.434   3.785   1.443  1.00  0.00           C  
HETATM   54  O   UNL     1      -6.600   4.616   2.594  1.00  0.00           O  
HETATM   55  C   UNL     1     -12.553   1.623  -0.422  1.00  0.00           C  
HETATM   56  C   UNL     1       0.503  -7.957  -1.473  1.00  0.00           C  
HETATM   57  C   UNL     1      10.120  -1.762   1.085  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.566  -5.442   0.394  1.00  0.00           C  
HETATM   59  C   UNL     1       8.948   3.085   1.976  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.726  -1.721   0.811  1.00  0.00           C  
HETATM   61  C   UNL     1     -13.986   1.210  -0.349  1.00  0.00           C  
HETATM   62  O   UNL     1     -14.784   1.536  -1.210  1.00  0.00           O  
HETATM   63  C   UNL     1       1.763  -8.475  -1.792  1.00  0.00           C  
HETATM   64  N   UNL     1       1.887  -9.553  -2.654  1.00  0.00           N  
HETATM   65  C   UNL     1      11.404  -2.154   1.674  1.00  0.00           C  
HETATM   66  O   UNL     1      12.078  -3.039   1.170  1.00  0.00           O  
HETATM   67  N   UNL     1     -11.874   2.318  -1.269  1.00  0.00           N  
HETATM   68  N   UNL     1      -0.788  -8.270  -1.828  1.00  0.00           N  
HETATM   69  N   UNL     1       9.406  -2.170   0.010  1.00  0.00           N  
HETATM   70  C   UNL     1     -10.483   2.393  -0.812  1.00  0.00           C  
HETATM   71  C   UNL     1      -1.657  -7.420  -1.210  1.00  0.00           C  
HETATM   72  C   UNL     1       8.308  -1.474  -0.062  1.00  0.00           C  
HETATM   73  N   UNL     1     -10.412   1.637   0.447  1.00  0.00           N  
HETATM   74  C   UNL     1      -0.976  -6.544  -0.448  1.00  0.00           C  
HETATM   75  N   UNL     1       8.264  -0.581   0.968  1.00  0.00           N  
HETATM   76  H   UNL     1       4.890  11.402  -2.134  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.217  -3.022  -0.088  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.317  -3.335   1.421  1.00  0.00           H  
HETATM   79  H   UNL     1       7.066   0.504   2.312  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.505   0.914   2.200  1.00  0.00           H  
HETATM   81  H   UNL     1       4.006   3.805  -2.375  1.00  0.00           H  
HETATM   82  H   UNL     1       0.430  -3.853   0.625  1.00  0.00           H  
HETATM   83  H   UNL     1       0.516  -4.182  -1.135  1.00  0.00           H  
HETATM   84  H   UNL     1       8.467   1.671   0.034  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.535   0.383  -0.500  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.899  -0.907   2.707  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.362  -0.928   3.384  1.00  0.00           H  
HETATM   88  H   UNL     1       3.635  -6.456  -0.013  1.00  0.00           H  
HETATM   89  H   UNL     1      12.441  -0.222   4.834  1.00  0.00           H  
HETATM   90  H   UNL     1      11.077   0.757   4.882  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.497   2.457   0.257  1.00  0.00           H  
HETATM   92  H   UNL     1       0.689   1.268  -0.989  1.00  0.00           H  
HETATM   93  H   UNL     1       4.589   9.242  -3.108  1.00  0.00           H  
HETATM   94  H   UNL     1       6.287   9.538  -2.664  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.335  -1.995  -1.696  1.00  0.00           H  
HETATM   96  H   UNL     1       6.596   1.711  -1.388  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.867   2.039  -0.474  1.00  0.00           H  
HETATM   98  H   UNL     1       9.419   0.549   3.270  1.00  0.00           H  
HETATM   99  H   UNL     1       5.916   8.406  -0.489  1.00  0.00           H  
HETATM  100  H   UNL     1       4.218   8.109  -0.933  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.177  -1.366   1.136  1.00  0.00           H  
HETATM  102  H   UNL     1       4.753   1.579   1.064  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.913   2.011   2.597  1.00  0.00           H  
HETATM  104  H   UNL     1       4.961   6.781  -2.891  1.00  0.00           H  
HETATM  105  H   UNL     1       6.659   7.077  -2.447  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.698   0.096  -0.850  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.630  -1.247  -1.554  1.00  0.00           H  
HETATM  108  H   UNL     1       3.819   1.642  -1.307  1.00  0.00           H  
HETATM  109  H   UNL     1       4.695   0.125  -1.627  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.375   3.574   1.297  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.827   4.298   0.566  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.145   5.467   2.534  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.025  -5.378   1.339  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.616  -5.657   0.590  1.00  0.00           H  
HETATM  115  H   UNL     1       9.465   2.179   2.293  1.00  0.00           H  
HETATM  116  H   UNL     1       9.476   3.528   1.132  1.00  0.00           H  
HETATM  117  H   UNL     1       8.921   3.796   2.802  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.450  -2.606   1.385  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.772  -1.477   1.000  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.585  -1.918  -0.251  1.00  0.00           H  
HETATM  121  H   UNL     1       1.095  -9.957  -3.043  1.00  0.00           H  
HETATM  122  H   UNL     1       2.765  -9.904  -2.868  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.821   1.945  -1.553  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.202   3.432  -0.639  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.732  -7.446  -1.316  1.00  0.00           H  
HETATM  126  H   UNL     1       7.548  -1.586  -0.822  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.043  -8.988  -2.429  1.00  0.00           H  
CONECT    1   12   12   25   34                                       
CONECT    1   50                                                      
CONECT    2   13   13   26   30                                       
CONECT    2   52                                                      
CONECT    3   27   27   48   14                                       
CONECT    3   32                                                      
CONECT    4   28   76                                                 
CONECT    5   39    6   77   78                                       
CONECT    6    5   58   15                                            
CONECT    7   41   75   16   79                                       
CONECT    8   43   18   73   80                                       
CONECT    9   61   20   20                                            
CONECT   10   63   63   22                                            
CONECT   11   65   23   23                                            
CONECT   12    1    1                                                 
CONECT   13    2    2                                                 
CONECT   14    3   81                                                 
CONECT   15    6   29   82   83                                       
CONECT   16    7   31   17   84                                       
CONECT   17   16   59                                                 
CONECT   18    8   33   19   85                                       
CONECT   19   18   60                                                 
CONECT   20    9    9   35   21                                       
CONECT   21   20   86   87                                            
CONECT   22   10   36   36   88                                       
CONECT   23   11   11   37   24                                       
CONECT   24   23   89   90                                            
CONECT   25    1   91                                                 
CONECT   26    2   92                                                 
CONECT   27    3    3                                                 
CONECT   28    4   38   93   94                                       
CONECT   29   15   39   30   95                                       
CONECT   30    2   29                                                 
CONECT   31   16   40   32   96                                       
CONECT   32    3   31                                                 
CONECT   33   18   42   34   97                                       
CONECT   34    1   33                                                 
CONECT   35   20   44   44                                            
CONECT   36   22   22   45                                            
CONECT   37   23   46   98                                            
CONECT   38   28   47   99  100                                       
CONECT   39    5   29   49  101                                       
CONECT   40   31   51   41  102                                       
CONECT   41    7   40                                                 
CONECT   42   33   53   43  103                                       
CONECT   43    8   42                                                 
CONECT   44   35   35   73   55                                       
CONECT   45   36   74   56   56                                       
CONECT   46   37   57   57   75                                       
CONECT   47   38   48  104  105                                       
CONECT   48    3   47                                                 
CONECT   49   39   50  106  107                                       
CONECT   50    1   49                                                 
CONECT   51   40   52  108  109                                       
CONECT   52    2   51                                                 
CONECT   53   42   54  110  111                                       
CONECT   54   53  112                                                 
CONECT   55   44   67   67   61                                       
CONECT   56   45   45   68   63                                       
CONECT   57   46   46   69   65                                       
CONECT   58    6   74  113  114                                       
CONECT   59   17  115  116  117                                       
CONECT   60   19  118  119  120                                       
CONECT   61    9   55   62   62                                       
CONECT   62   61   61                                                 
CONECT   63   10   10   56   64                                       
CONECT   64   63  121  122                                            
CONECT   65   11   57   66   66                                       
CONECT   66   65   65                                                 
CONECT   67   55   55   70                                            
CONECT   68   56   71  127                                            
CONECT   69   57   72   72                                            
CONECT   70   67   73  123  124                                       
CONECT   71   68   74   74  125                                       
CONECT   72   69   69   75  126                                       
CONECT   73    8   44   70                                            
CONECT   74   45   58   71   71                                       
CONECT   75    7   46   72                                            
CONECT   76    4                                                      
CONECT   77    5                                                      
CONECT   78    5                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   18                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   31                                                      
CONECT   97   33                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   42                                                      
CONECT  104   47                                                      
CONECT  105   47                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   51                                                      
CONECT  109   51                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   58                                                      
CONECT  114   58                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   60                                                      
CONECT  120   60                                                      
CONECT  121   64                                                      
CONECT  122   64                                                      
CONECT  123   70                                                      
CONECT  124   70                                                      
CONECT  125   71                                                      
CONECT  126   72                                                      
CONECT  127   68                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
