COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.164   2.102   8.687  1.00  0.00           P  
HETATM    2  O   UNL     1      -0.584   3.366   8.378  1.00  0.00           O  
HETATM    3  O   UNL     1       1.740   2.125   8.323  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.386   0.780   7.931  1.00  0.00           O  
HETATM    5  C   UNL     1       0.267  -0.455   8.169  1.00  0.00           C  
HETATM    6  C   UNL     1       0.805  -0.984   6.846  1.00  0.00           C  
HETATM    7  C   UNL     1       1.538  -2.311   6.999  1.00  0.00           C  
HETATM    8  C   UNL     1       2.979  -1.888   7.195  1.00  0.00           C  
HETATM    9  C   UNL     1       3.071  -0.634   6.342  1.00  0.00           C  
HETATM   10  O   UNL     1       1.770  -0.032   6.357  1.00  0.00           O  
HETATM   11  O   UNL     1       3.448  -0.993   5.018  1.00  0.00           O  
HETATM   12  C   UNL     1       3.549   0.149   4.176  1.00  0.00           C  
HETATM   13  C   UNL     1       3.927  -0.309   2.773  1.00  0.00           C  
HETATM   14  C   UNL     1       4.078   0.849   1.795  1.00  0.00           C  
HETATM   15  N   UNL     1       2.867   1.626   1.667  1.00  0.00           N  
HETATM   16  C   UNL     1       2.784   2.970   1.964  1.00  0.00           C  
HETATM   17  O   UNL     1       1.510   3.422   1.742  1.00  0.00           O  
HETATM   18  C   UNL     1       1.074   4.501   2.562  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.344   4.899   2.169  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.875   6.016   3.067  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.822   5.694   4.590  1.00  0.00           C  
HETATM   22  C   UNL     1       0.570   5.149   4.940  1.00  0.00           C  
HETATM   23  C   UNL     1       1.145   4.088   4.030  1.00  0.00           C  
HETATM   24  C   UNL     1       1.278   5.578   6.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.806   6.601   6.982  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.697   6.903   6.881  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.120   7.026   5.388  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.570   7.557   5.216  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.885   8.798   6.071  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.537   8.566   7.548  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.041   8.201   7.619  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.711   8.312   9.104  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.592   9.474   9.599  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.522   9.845   8.419  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.875  10.373   8.875  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.770  10.646   7.660  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.760  11.660   9.719  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.044  12.841   9.051  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.896  14.062   9.965  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.240  15.272   9.270  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.001  15.714   8.019  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.794  14.935   8.899  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.477   7.491   8.148  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.862   4.596   4.919  1.00  0.00           C  
HETATM   45  O   UNL     1       3.705   3.673   2.368  1.00  0.00           O  
HETATM   46  O   UNL     1       1.416  -3.074   5.801  1.00  0.00           O  
HETATM   47  O   UNL     1       0.149   1.662  10.243  1.00  0.00           O  
HETATM   48  H   UNL     1       2.284   2.886   8.618  1.00  0.00           H  
HETATM   49  H   UNL     1       1.086  -0.298   8.871  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.448  -1.162   8.593  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.009  -1.044   6.118  1.00  0.00           H  
HETATM   52  H   UNL     1       1.156  -2.927   7.817  1.00  0.00           H  
HETATM   53  H   UNL     1       3.136  -1.625   8.247  1.00  0.00           H  
HETATM   54  H   UNL     1       3.699  -2.656   6.898  1.00  0.00           H  
HETATM   55  H   UNL     1       3.809   0.077   6.725  1.00  0.00           H  
HETATM   56  H   UNL     1       4.307   0.818   4.594  1.00  0.00           H  
HETATM   57  H   UNL     1       2.582   0.663   4.171  1.00  0.00           H  
HETATM   58  H   UNL     1       3.157  -0.997   2.403  1.00  0.00           H  
HETATM   59  H   UNL     1       4.854  -0.894   2.819  1.00  0.00           H  
HETATM   60  H   UNL     1       4.860   1.533   2.140  1.00  0.00           H  
HETATM   61  H   UNL     1       4.353   0.490   0.798  1.00  0.00           H  
HETATM   62  H   UNL     1       2.029   1.156   1.339  1.00  0.00           H  
HETATM   63  H   UNL     1       1.756   5.341   2.381  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.008   4.027   2.204  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.354   5.228   1.122  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.286   6.920   2.862  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.903   6.242   2.760  1.00  0.00           H  
HETATM   68  H   UNL     1       2.189   3.861   4.281  1.00  0.00           H  
HETATM   69  H   UNL     1       0.607   3.144   4.182  1.00  0.00           H  
HETATM   70  H   UNL     1       2.268   5.169   6.184  1.00  0.00           H  
HETATM   71  H   UNL     1       1.032   6.248   7.995  1.00  0.00           H  
HETATM   72  H   UNL     1       1.395   7.514   6.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.235   6.069   7.347  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.473   7.808   4.958  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.297   6.778   5.463  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.746   7.817   4.167  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.314   9.648   5.676  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.944   9.059   5.960  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.469   9.004   7.122  1.00  0.00           H  
HETATM   80  H   UNL     1       0.351   8.518   9.274  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.959   7.389   9.641  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.156   9.162  10.486  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.981  10.336   9.887  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.034  10.652   7.852  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.372   9.597   9.473  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.245  10.422   6.724  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.077  11.696   7.633  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.677  10.034   7.695  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.765  11.987  10.015  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.228  11.428  10.652  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.051  12.488   8.749  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.563  13.125   8.129  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.314  13.785  10.853  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.887  14.368  10.318  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.218  16.113   9.975  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.119  14.886   7.312  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.469  16.522   7.506  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.996  16.094   8.270  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.749  14.099   8.192  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.299  15.796   8.437  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.218  14.658   9.788  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.517   7.696   7.878  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.213   6.497   7.775  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.401   7.481   9.240  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.738   4.691   4.271  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.430   3.602   4.771  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.191   4.678   5.959  1.00  0.00           H  
HETATM  108  H   UNL     1       2.288  -3.064   5.378  1.00  0.00           H  
HETATM  109  H   UNL     1       0.356   2.332  10.928  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   47                                                      
CONECT    2    1    1                                                 
CONECT    3    1   48                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   49   50                                       
CONECT    6    5    7   10   51                                       
CONECT    7    6    8   46   52                                       
CONECT    8    7    9   53   54                                       
CONECT    9    8   10   11   55                                       
CONECT   10    6    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   16   62                                            
CONECT   16   15   17   45   45                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   23   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22   27   44                                       
CONECT   22   21   23   24   24                                       
CONECT   23   18   22   68   69                                       
CONECT   24   22   22   25   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   27   31   73                                       
CONECT   27   21   26   28   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   31   34   43                                       
CONECT   31   26   30   32   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   30   33   35   84                                       
CONECT   35   34   36   37   85                                       
CONECT   36   35   86   87   88                                       
CONECT   37   35   38   89   90                                       
CONECT   38   37   39   91   92                                       
CONECT   39   38   40   93   94                                       
CONECT   40   39   41   42   95                                       
CONECT   41   40   96   97   98                                       
CONECT   42   40   99  100  101                                       
CONECT   43   30  102  103  104                                       
CONECT   44   21  105  106  107                                       
CONECT   45   16   16                                                 
CONECT   46    7  108                                                 
CONECT   47    1  109                                                 
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
