COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.745  -4.893  -2.859  1.00  0.00           O1-
HETATM    2  O   UNL     1       1.352  -5.926  -1.910  1.00  0.00           O  
HETATM    3  P   UNL     1       0.618  -4.596  -2.196  1.00  0.00           P  
HETATM    4  O   UNL     1       1.511  -3.693  -3.185  1.00  0.00           O  
HETATM    5  O   UNL     1       0.382  -3.805  -0.814  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.508  -4.602  -0.029  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.775  -3.903   1.306  1.00  0.00           C  
HETATM    8  C   UNL     1       0.555  -3.609   2.003  1.00  0.00           C  
HETATM    9  O   UNL     1       1.410  -2.846   1.111  1.00  0.00           O  
HETATM   10  C   UNL     1       2.635  -2.472   1.513  1.00  0.00           C  
HETATM   11  O   UNL     1       3.026  -2.771   2.617  1.00  0.00           O  
HETATM   12  C   UNL     1       3.523  -1.681   0.588  1.00  0.00           C  
HETATM   13  C   UNL     1       4.852  -1.387   1.284  1.00  0.00           C  
HETATM   14  C   UNL     1       5.754  -0.583   0.345  1.00  0.00           C  
HETATM   15  C   UNL     1       7.084  -0.289   1.042  1.00  0.00           C  
HETATM   16  C   UNL     1       7.985   0.515   0.102  1.00  0.00           C  
HETATM   17  C   UNL     1       9.315   0.809   0.799  1.00  0.00           C  
HETATM   18  C   UNL     1      10.216   1.613  -0.140  1.00  0.00           C  
HETATM   19  C   UNL     1      11.546   1.907   0.557  1.00  0.00           C  
HETATM   20  C   UNL     1      12.447   2.711  -0.383  1.00  0.00           C  
HETATM   21  C   UNL     1      13.777   3.005   0.314  1.00  0.00           C  
HETATM   22  C   UNL     1      14.679   3.809  -0.625  1.00  0.00           C  
HETATM   23  C   UNL     1      16.008   4.103   0.072  1.00  0.00           C  
HETATM   24  C   UNL     1      16.910   4.907  -0.868  1.00  0.00           C  
HETATM   25  C   UNL     1      18.240   5.201  -0.171  1.00  0.00           C  
HETATM   26  C   UNL     1      19.141   6.005  -1.110  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.483  -2.658   1.067  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.825  -2.641   1.046  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.444  -3.663   1.226  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.559  -1.349   0.798  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.067  -1.605   0.826  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.812  -0.293   0.574  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.320  -0.550   0.601  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.065   0.763   0.350  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.574   0.506   0.377  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.319   1.819   0.126  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.827   1.562   0.153  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.572   2.874  -0.099  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.080   2.618  -0.071  1.00  0.00           C  
HETATM   40  C   UNL     1     -14.825   3.930  -0.323  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.334   3.673  -0.296  1.00  0.00           C  
HETATM   42  C   UNL     1     -17.079   4.986  -0.547  1.00  0.00           C  
HETATM   43  C   UNL     1     -18.587   4.729  -0.520  1.00  0.00           C  
HETATM   44  C   UNL     1     -19.332   6.041  -0.771  1.00  0.00           C  
HETATM   45  H   UNL     1       1.628  -4.202  -3.999  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.057  -5.577   0.155  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.448  -4.731  -0.566  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.382  -4.550   1.939  1.00  0.00           H  
HETATM   49  H   UNL     1       1.045  -4.547   2.261  1.00  0.00           H  
HETATM   50  H   UNL     1       0.370  -3.033   2.910  1.00  0.00           H  
HETATM   51  H   UNL     1       3.033  -0.742   0.329  1.00  0.00           H  
HETATM   52  H   UNL     1       3.707  -2.256  -0.319  1.00  0.00           H  
HETATM   53  H   UNL     1       4.668  -0.811   2.191  1.00  0.00           H  
HETATM   54  H   UNL     1       5.342  -2.325   1.543  1.00  0.00           H  
HETATM   55  H   UNL     1       5.264   0.356   0.086  1.00  0.00           H  
HETATM   56  H   UNL     1       5.938  -1.158  -0.562  1.00  0.00           H  
HETATM   57  H   UNL     1       7.574  -1.227   1.301  1.00  0.00           H  
HETATM   58  H   UNL     1       6.899   0.287   1.949  1.00  0.00           H  
HETATM   59  H   UNL     1       7.495   1.454  -0.156  1.00  0.00           H  
HETATM   60  H   UNL     1       8.170  -0.061  -0.805  1.00  0.00           H  
HETATM   61  H   UNL     1       9.805  -0.129   1.058  1.00  0.00           H  
HETATM   62  H   UNL     1       9.130   1.385   1.706  1.00  0.00           H  
HETATM   63  H   UNL     1       9.726   2.552  -0.399  1.00  0.00           H  
HETATM   64  H   UNL     1      10.401   1.037  -1.047  1.00  0.00           H  
HETATM   65  H   UNL     1      12.036   0.969   0.816  1.00  0.00           H  
HETATM   66  H   UNL     1      11.361   2.483   1.464  1.00  0.00           H  
HETATM   67  H   UNL     1      11.957   3.650  -0.641  1.00  0.00           H  
HETATM   68  H   UNL     1      12.632   2.135  -1.290  1.00  0.00           H  
HETATM   69  H   UNL     1      14.267   2.066   0.573  1.00  0.00           H  
HETATM   70  H   UNL     1      13.593   3.581   1.221  1.00  0.00           H  
HETATM   71  H   UNL     1      14.189   4.747  -0.884  1.00  0.00           H  
HETATM   72  H   UNL     1      14.863   3.233  -1.532  1.00  0.00           H  
HETATM   73  H   UNL     1      16.498   3.164   0.331  1.00  0.00           H  
HETATM   74  H   UNL     1      15.824   4.679   0.979  1.00  0.00           H  
HETATM   75  H   UNL     1      16.420   5.845  -1.126  1.00  0.00           H  
HETATM   76  H   UNL     1      17.094   4.331  -1.775  1.00  0.00           H  
HETATM   77  H   UNL     1      18.730   4.262   0.088  1.00  0.00           H  
HETATM   78  H   UNL     1      18.055   5.777   0.736  1.00  0.00           H  
HETATM   79  H   UNL     1      20.088   6.214  -0.614  1.00  0.00           H  
HETATM   80  H   UNL     1      19.326   5.429  -2.017  1.00  0.00           H  
HETATM   81  H   UNL     1      18.651   6.943  -1.369  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.299  -0.629   1.574  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.275  -0.951  -0.176  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.327  -2.325   0.050  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.350  -2.003   1.800  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.552   0.427   1.350  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.529   0.105  -0.400  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.580  -1.269  -0.175  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.604  -0.947   1.576  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.805   1.483   1.126  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.782   1.161  -0.625  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.834  -0.214  -0.399  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.857   0.108   1.352  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.059   2.539   0.902  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.035   2.216  -0.849  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.087   0.842  -0.623  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.110   1.164   1.127  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.312   3.594   0.677  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.289   3.272  -1.073  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.340   1.898  -0.847  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.364   2.220   0.903  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.565   4.650   0.453  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.542   4.328  -1.297  1.00  0.00           H  
HETATM  104  H   UNL     1     -16.594   2.953  -1.072  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.617   3.276   0.679  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.819   5.706   0.229  1.00  0.00           H  
HETATM  107  H   UNL     1     -16.795   5.384  -1.522  1.00  0.00           H  
HETATM  108  H   UNL     1     -18.847   4.009  -1.296  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.870   4.331   0.455  1.00  0.00           H  
HETATM  110  H   UNL     1     -19.049   6.439  -1.746  1.00  0.00           H  
HETATM  111  H   UNL     1     -20.407   5.859  -0.752  1.00  0.00           H  
HETATM  112  H   UNL     1     -19.072   6.761   0.005  1.00  0.00           H  
CONECT    1    3                                                      
CONECT    2    3    3                                                 
CONECT    3    1    2    2    4                                       
CONECT    3    5                                                      
CONECT    4    3   45                                                 
CONECT    5    3    6                                                 
CONECT    6    5    7   46   47                                       
CONECT    7    6    8   27   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20   19   21   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23   71   72                                       
CONECT   23   22   24   73   74                                       
CONECT   24   23   25   75   76                                       
CONECT   25   24   26   77   78                                       
CONECT   26   25   79   80   81                                       
CONECT   27    7   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   82   83                                       
CONECT   31   30   32   84   85                                       
CONECT   32   31   33   86   87                                       
CONECT   33   32   34   88   89                                       
CONECT   34   33   35   90   91                                       
CONECT   35   34   36   92   93                                       
CONECT   36   35   37   94   95                                       
CONECT   37   36   38   96   97                                       
CONECT   38   37   39   98   99                                       
CONECT   39   38   40  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42  104  105                                       
CONECT   42   41   43  106  107                                       
CONECT   43   42   44  108  109                                       
CONECT   44   43  110  111  112                                       
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
