COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.085   3.490   1.921  1.00  0.00           O  
HETATM    2  P   UNL     1      -2.043   3.625   0.448  1.00  0.00           P  
HETATM    3  O   UNL     1      -2.339   5.155   0.040  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.158   2.669  -0.211  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.540   2.726   0.145  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.319   1.687  -0.665  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.830   1.789  -0.360  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.495   2.546  -1.373  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.315   0.322  -0.374  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.296   0.127  -1.395  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.040  -0.493  -0.686  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.040  -1.748   0.069  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.642  -2.922  -0.307  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.362  -3.314  -1.353  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.816  -4.547  -1.431  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.588  -5.447  -0.492  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.879  -5.147   0.591  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.644  -6.097   1.569  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.372  -3.843   0.719  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.631  -3.196   1.651  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.436  -1.966   1.272  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.947   0.352  -0.260  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.586   3.199  -0.089  1.00  0.00           O  
HETATM   24  C   UNL     1       0.624   3.791   0.391  1.00  0.00           C  
HETATM   25  C   UNL     1       1.366   4.454  -0.774  1.00  0.00           C  
HETATM   26  N   UNL     1       0.549   5.545  -1.320  1.00  0.00           N  
HETATM   27  C   UNL     1       2.696   5.016  -0.263  1.00  0.00           C  
HETATM   28  O   UNL     1       3.430   5.573  -1.355  1.00  0.00           O  
HETATM   29  C   UNL     1       3.508   3.885   0.375  1.00  0.00           C  
HETATM   30  C   UNL     1       4.812   4.450   0.941  1.00  0.00           C  
HETATM   31  O   UNL     1       5.623   3.379   1.429  1.00  0.00           O  
HETATM   32  O   UNL     1       2.748   3.292   1.430  1.00  0.00           O  
HETATM   33  C   UNL     1       1.515   2.708   1.003  1.00  0.00           C  
HETATM   34  O   UNL     1       1.779   1.699   0.027  1.00  0.00           O  
HETATM   35  C   UNL     1       2.376   0.515   0.560  1.00  0.00           C  
HETATM   36  C   UNL     1       1.279  -0.453   1.007  1.00  0.00           C  
HETATM   37  N   UNL     1       0.452   0.186   2.039  1.00  0.00           N  
HETATM   38  C   UNL     1       1.919  -1.720   1.578  1.00  0.00           C  
HETATM   39  C   UNL     1       2.780  -2.386   0.502  1.00  0.00           C  
HETATM   40  N   UNL     1       3.395  -3.603   1.051  1.00  0.00           N  
HETATM   41  C   UNL     1       3.238  -0.150  -0.515  1.00  0.00           C  
HETATM   42  O   UNL     1       4.262   0.754  -0.932  1.00  0.00           O  
HETATM   43  C   UNL     1       3.878  -1.418   0.056  1.00  0.00           C  
HETATM   44  O   UNL     1       4.682  -2.039  -0.948  1.00  0.00           O  
HETATM   45  C   UNL     1       6.032  -1.571  -0.984  1.00  0.00           C  
HETATM   46  O   UNL     1       6.736  -2.059   0.160  1.00  0.00           O  
HETATM   47  C   UNL     1       6.714  -2.079  -2.257  1.00  0.00           C  
HETATM   48  N   UNL     1       5.958  -1.628  -3.433  1.00  0.00           N  
HETATM   49  C   UNL     1       6.754  -3.610  -2.230  1.00  0.00           C  
HETATM   50  C   UNL     1       7.477  -4.068  -0.960  1.00  0.00           C  
HETATM   51  O   UNL     1       7.456  -5.496  -0.887  1.00  0.00           O  
HETATM   52  C   UNL     1       6.765  -3.484   0.263  1.00  0.00           C  
HETATM   53  C   UNL     1       7.516  -3.888   1.533  1.00  0.00           C  
HETATM   54  N   UNL     1       6.769  -3.429   2.711  1.00  0.00           N  
HETATM   55  H   UNL     1      -2.327   5.317  -0.913  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.651   2.514   1.208  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.930   3.720  -0.070  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.137   1.824  -1.731  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.992   2.238   0.619  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.447   2.641  -1.232  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.717   0.045   0.601  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.117   0.616  -1.249  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.969  -0.692  -1.755  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.398  -4.833  -2.295  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.999  -6.994   1.469  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.125  -5.866   2.355  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.874  -1.229   1.826  1.00  0.00           H  
HETATM   68  H   UNL     1       0.388   4.540   1.146  1.00  0.00           H  
HETATM   69  H   UNL     1       1.556   3.716  -1.553  1.00  0.00           H  
HETATM   70  H   UNL     1       1.018   5.998  -2.090  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.362   5.211  -1.597  1.00  0.00           H  
HETATM   72  H   UNL     1       2.503   5.791   0.479  1.00  0.00           H  
HETATM   73  H   UNL     1       4.285   5.948  -1.104  1.00  0.00           H  
HETATM   74  H   UNL     1       3.735   3.131  -0.378  1.00  0.00           H  
HETATM   75  H   UNL     1       5.349   4.983   0.156  1.00  0.00           H  
HETATM   76  H   UNL     1       4.587   5.137   1.757  1.00  0.00           H  
HETATM   77  H   UNL     1       6.468   3.664   1.804  1.00  0.00           H  
HETATM   78  H   UNL     1       1.009   2.262   1.860  1.00  0.00           H  
HETATM   79  H   UNL     1       3.000   0.777   1.415  1.00  0.00           H  
HETATM   80  H   UNL     1       0.656  -0.715   0.152  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.280  -0.434   2.351  1.00  0.00           H  
HETATM   82  H   UNL     1       1.018   0.496   2.815  1.00  0.00           H  
HETATM   83  H   UNL     1       2.543  -1.459   2.432  1.00  0.00           H  
HETATM   84  H   UNL     1       1.138  -2.410   1.896  1.00  0.00           H  
HETATM   85  H   UNL     1       2.157  -2.648  -0.352  1.00  0.00           H  
HETATM   86  H   UNL     1       2.695  -4.220   1.435  1.00  0.00           H  
HETATM   87  H   UNL     1       3.949  -4.075   0.352  1.00  0.00           H  
HETATM   88  H   UNL     1       2.614  -0.412  -1.370  1.00  0.00           H  
HETATM   89  H   UNL     1       3.928   1.579  -1.312  1.00  0.00           H  
HETATM   90  H   UNL     1       4.501  -1.156   0.911  1.00  0.00           H  
HETATM   91  H   UNL     1       6.039  -0.481  -0.978  1.00  0.00           H  
HETATM   92  H   UNL     1       7.731  -1.689  -2.305  1.00  0.00           H  
HETATM   93  H   UNL     1       6.387  -1.955  -4.286  1.00  0.00           H  
HETATM   94  H   UNL     1       4.995  -1.921  -3.377  1.00  0.00           H  
HETATM   95  H   UNL     1       5.737  -4.001  -2.232  1.00  0.00           H  
HETATM   96  H   UNL     1       7.289  -3.976  -3.106  1.00  0.00           H  
HETATM   97  H   UNL     1       8.509  -3.720  -0.982  1.00  0.00           H  
HETATM   98  H   UNL     1       7.887  -5.933  -1.634  1.00  0.00           H  
HETATM   99  H   UNL     1       5.745  -3.866   0.306  1.00  0.00           H  
HETATM  100  H   UNL     1       7.615  -4.973   1.566  1.00  0.00           H  
HETATM  101  H   UNL     1       8.506  -3.433   1.530  1.00  0.00           H  
HETATM  102  H   UNL     1       7.245  -3.684   3.563  1.00  0.00           H  
HETATM  103  H   UNL     1       6.607  -2.433   2.671  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4   23                                       
CONECT    2    3                                                      
CONECT    3    2   55                                                 
CONECT    4    2    5                                                 
CONECT    5    6    4   56   57                                       
CONECT    6    7   22    5   58                                       
CONECT    7    9    8    6   59                                       
CONECT    8    7   60                                                 
CONECT    9   10   11    7   61                                       
CONECT   10    9   62                                                 
CONECT   11   12    9   22   63                                       
CONECT   12   13   21   11                                            
CONECT   13   14   14   19   12                                       
CONECT   14   15   13   13                                            
CONECT   15   16   16   14   64                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   65   66                                            
CONECT   19   17   17   13   20                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   12   67                                       
CONECT   22   11    6                                                 
CONECT   23   24    2                                                 
CONECT   24   33   25   23   68                                       
CONECT   25   27   24   26   69                                       
CONECT   26   25   70   71                                            
CONECT   27   29   28   25   72                                       
CONECT   28   27   73                                                 
CONECT   29   30   32   27   74                                       
CONECT   30   31   29   75   76                                       
CONECT   31   30   77                                                 
CONECT   32   29   33                                                 
CONECT   33   32   24   34   78                                       
CONECT   34   33   35                                                 
CONECT   35   41   34   36   79                                       
CONECT   36   35   38   37   80                                       
CONECT   37   36   81   82                                            
CONECT   38   39   36   83   84                                       
CONECT   39   43   40   38   85                                       
CONECT   40   39   86   87                                            
CONECT   41   42   43   35   88                                       
CONECT   42   41   89                                                 
CONECT   43   44   41   39   90                                       
CONECT   44   45   43                                                 
CONECT   45   47   46   44   91                                       
CONECT   46   45   52                                                 
CONECT   47   48   49   45   92                                       
CONECT   48   47   93   94                                            
CONECT   49   47   50   95   96                                       
CONECT   50   49   51   52   97                                       
CONECT   51   50   98                                                 
CONECT   52   50   46   53   99                                       
CONECT   53   52   54  100  101                                       
CONECT   54   53  102  103                                            
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   15                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   45                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   53                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
