COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -4.803  -2.209   0.479  1.00  0.00           P  
HETATM    2  O   UNL     1      -3.949  -3.231   1.384  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.073  -2.825  -0.838  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.198  -1.880   1.213  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.970  -0.847   0.274  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.777   0.013  -0.531  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.039   1.332  -0.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.761   2.006   0.579  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.782   1.070  -1.444  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.941   1.132   1.399  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.732   1.064  -2.785  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.733   1.277  -3.428  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.428   0.793  -3.490  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.646   0.843  -5.003  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.322   0.567  -5.718  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.539   0.618  -7.232  1.00  0.00           C  
HETATM   17  C   UNL     1       0.784   0.342  -7.947  1.00  0.00           C  
HETATM   18  C   UNL     1       0.566   0.393  -9.461  1.00  0.00           C  
HETATM   19  C   UNL     1       1.890   0.117 -10.176  1.00  0.00           C  
HETATM   20  C   UNL     1       1.672   0.168 -11.690  1.00  0.00           C  
HETATM   21  C   UNL     1       2.996  -0.107 -12.405  1.00  0.00           C  
HETATM   22  C   UNL     1       2.779  -0.056 -13.918  1.00  0.00           C  
HETATM   23  C   UNL     1       4.103  -0.332 -14.634  1.00  0.00           C  
HETATM   24  C   UNL     1       3.885  -0.281 -16.147  1.00  0.00           C  
HETATM   25  C   UNL     1       5.209  -0.557 -16.863  1.00  0.00           C  
HETATM   26  C   UNL     1       4.991  -0.506 -18.376  1.00  0.00           C  
HETATM   27  C   UNL     1       6.315  -0.782 -19.091  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.570   1.518   2.630  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.919   2.594   3.056  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.720   0.611   3.480  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.442   1.285   4.825  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.578   0.363   5.689  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.300   1.038   7.034  1.00  0.00           C  
HETATM   34  C   UNL     1       0.563   0.116   7.897  1.00  0.00           C  
HETATM   35  C   UNL     1       0.840   0.790   9.243  1.00  0.00           C  
HETATM   36  C   UNL     1       1.704  -0.130  10.106  1.00  0.00           C  
HETATM   37  C   UNL     1       1.982   0.543  11.451  1.00  0.00           C  
HETATM   38  C   UNL     1       2.846  -0.378  12.315  1.00  0.00           C  
HETATM   39  C   UNL     1       3.124   0.295  13.660  1.00  0.00           C  
HETATM   40  C   UNL     1       3.987  -0.625  14.523  1.00  0.00           C  
HETATM   41  C   UNL     1       4.265   0.048  15.868  1.00  0.00           C  
HETATM   42  C   UNL     1       5.129  -0.873  16.732  1.00  0.00           C  
HETATM   43  C   UNL     1       5.407  -0.198  18.077  1.00  0.00           C  
HETATM   44  C   UNL     1       6.270  -1.120  18.941  1.00  0.00           C  
HETATM   45  H   UNL     1      -4.483  -4.031   1.482  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.978  -1.481   2.066  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.720   0.209  -0.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.975  -0.467  -1.489  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.654   1.989  -1.380  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.704   2.203   1.089  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.235   2.946   0.413  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.696   1.547  -3.202  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.062  -0.194  -3.208  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.378   0.089  -5.290  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.012   1.831  -5.285  1.00  0.00           H  
HETATM   56  H   UNL     1       0.410   1.322  -5.431  1.00  0.00           H  
HETATM   57  H   UNL     1       0.043  -0.419  -5.437  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.272  -0.135  -7.519  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.906   1.606  -7.513  1.00  0.00           H  
HETATM   60  H   UNL     1       1.516   1.097  -7.660  1.00  0.00           H  
HETATM   61  H   UNL     1       1.150  -0.644  -7.666  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.165  -0.360  -9.748  1.00  0.00           H  
HETATM   63  H   UNL     1       0.200   1.381  -9.742  1.00  0.00           H  
HETATM   64  H   UNL     1       2.622   0.872  -9.889  1.00  0.00           H  
HETATM   65  H   UNL     1       2.256  -0.869  -9.895  1.00  0.00           H  
HETATM   66  H   UNL     1       0.940  -0.586 -11.977  1.00  0.00           H  
HETATM   67  H   UNL     1       1.306   1.155 -11.971  1.00  0.00           H  
HETATM   68  H   UNL     1       3.729   0.647 -12.118  1.00  0.00           H  
HETATM   69  H   UNL     1       3.362  -1.094 -12.123  1.00  0.00           H  
HETATM   70  H   UNL     1       2.046  -0.811 -14.206  1.00  0.00           H  
HETATM   71  H   UNL     1       2.413   0.930 -14.200  1.00  0.00           H  
HETATM   72  H   UNL     1       4.835   0.422 -14.346  1.00  0.00           H  
HETATM   73  H   UNL     1       4.469  -1.319 -14.352  1.00  0.00           H  
HETATM   74  H   UNL     1       3.153  -1.036 -16.435  1.00  0.00           H  
HETATM   75  H   UNL     1       3.519   0.705 -16.429  1.00  0.00           H  
HETATM   76  H   UNL     1       5.941   0.197 -16.575  1.00  0.00           H  
HETATM   77  H   UNL     1       5.575  -1.544 -16.581  1.00  0.00           H  
HETATM   78  H   UNL     1       4.259  -1.261 -18.663  1.00  0.00           H  
HETATM   79  H   UNL     1       4.625   0.480 -18.658  1.00  0.00           H  
HETATM   80  H   UNL     1       6.160  -0.746 -20.170  1.00  0.00           H  
HETATM   81  H   UNL     1       7.048  -0.028 -18.804  1.00  0.00           H  
HETATM   82  H   UNL     1       6.682  -1.770 -18.810  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.776   0.414   2.971  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.245  -0.328   3.647  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.385   1.481   5.335  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.916   2.225   4.659  1.00  0.00           H  
HETATM   87  H   UNL     1       0.364   0.167   5.179  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.104  -0.576   5.855  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.244   1.234   7.543  1.00  0.00           H  
HETATM   90  H   UNL     1       0.225   1.978   6.867  1.00  0.00           H  
HETATM   91  H   UNL     1       1.506  -0.080   7.388  1.00  0.00           H  
HETATM   92  H   UNL     1       0.037  -0.823   8.064  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.102   0.987   9.752  1.00  0.00           H  
HETATM   94  H   UNL     1       1.366   1.730   9.076  1.00  0.00           H  
HETATM   95  H   UNL     1       2.647  -0.327   9.597  1.00  0.00           H  
HETATM   96  H   UNL     1       1.178  -1.071  10.273  1.00  0.00           H  
HETATM   97  H   UNL     1       1.039   0.739  11.961  1.00  0.00           H  
HETATM   98  H   UNL     1       2.508   1.483  11.285  1.00  0.00           H  
HETATM   99  H   UNL     1       3.789  -0.574  11.805  1.00  0.00           H  
HETATM  100  H   UNL     1       2.320  -1.318  12.481  1.00  0.00           H  
HETATM  101  H   UNL     1       2.180   0.492  14.169  1.00  0.00           H  
HETATM  102  H   UNL     1       3.649   1.236  13.493  1.00  0.00           H  
HETATM  103  H   UNL     1       4.931  -0.822  14.014  1.00  0.00           H  
HETATM  104  H   UNL     1       3.461  -1.565  14.690  1.00  0.00           H  
HETATM  105  H   UNL     1       3.322   0.245  16.378  1.00  0.00           H  
HETATM  106  H   UNL     1       4.791   0.988  15.702  1.00  0.00           H  
HETATM  107  H   UNL     1       6.072  -1.069  16.222  1.00  0.00           H  
HETATM  108  H   UNL     1       4.603  -1.813  16.899  1.00  0.00           H  
HETATM  109  H   UNL     1       4.463  -0.002  18.587  1.00  0.00           H  
HETATM  110  H   UNL     1       5.932   0.741  17.911  1.00  0.00           H  
HETATM  111  H   UNL     1       6.468  -0.640  19.899  1.00  0.00           H  
HETATM  112  H   UNL     1       5.745  -2.060  19.107  1.00  0.00           H  
HETATM  113  H   UNL     1       7.214  -1.316  18.431  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1    5                                                      
CONECT    2    1   45                                                 
CONECT    3    1    1                                                 
CONECT    4    1   46                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   47   48                                       
CONECT    7    6    8    9   49                                       
CONECT    8    7   10   50   51                                       
CONECT    9    7   11                                                 
CONECT   10    8   28                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   52   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   58   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19   62   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22   68   69                                       
CONECT   22   21   23   70   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   23   25   74   75                                       
CONECT   25   24   26   76   77                                       
CONECT   26   25   27   78   79                                       
CONECT   27   26   80   81   82                                       
CONECT   28   10   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   83   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   33   87   88                                       
CONECT   33   32   34   89   90                                       
CONECT   34   33   35   91   92                                       
CONECT   35   34   36   93   94                                       
CONECT   36   35   37   95   96                                       
CONECT   37   36   38   97   98                                       
CONECT   38   37   39   99  100                                       
CONECT   39   38   40  101  102                                       
CONECT   40   39   41  103  104                                       
CONECT   41   40   42  105  106                                       
CONECT   42   41   43  107  108                                       
CONECT   43   42   44  109  110                                       
CONECT   44   43  111  112  113                                       
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
