COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.710  -1.972   2.299  1.00  0.00           O  
HETATM    2  P   UNL     1     -10.510  -2.417   1.323  1.00  0.00           P  
HETATM    3  O   UNL     1     -10.834  -3.866   0.700  1.00  0.00           O  
HETATM    4  O   UNL     1     -10.359  -1.343   0.133  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.968   0.014   0.354  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.924   0.756  -0.983  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.912   0.078  -1.909  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.310   0.723  -1.630  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.506   2.208  -0.746  1.00  0.00           C  
HETATM   10  O   UNL     1     -10.501   2.869   0.039  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.188   2.239  -0.016  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.145   2.593   1.144  1.00  0.00           O  
HETATM   13  N   UNL     1      -7.057   1.874  -0.651  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.793   1.799   0.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.674   1.364  -0.861  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.374   1.287  -0.102  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.346   1.554   1.081  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.243   0.922  -0.737  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.980   0.848   0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       0.140   0.412  -0.947  1.00  0.00           C  
HETATM   21  C   UNL     1      15.176   0.802   0.937  1.00  0.00           C  
HETATM   22  C   UNL     1      12.252  -2.072  -1.551  1.00  0.00           C  
HETATM   23  C   UNL     1      13.348  -1.359  -1.642  1.00  0.00           C  
HETATM   24  C   UNL     1      13.578  -0.208  -0.697  1.00  0.00           C  
HETATM   25  C   UNL     1      14.942  -0.367  -0.023  1.00  0.00           C  
HETATM   26  C   UNL     1      16.540   0.643   1.611  1.00  0.00           C  
HETATM   27  C   UNL     1      16.774   1.812   2.570  1.00  0.00           C  
HETATM   28  C   UNL     1      18.138   1.653   3.245  1.00  0.00           C  
HETATM   29  C   UNL     1       2.534  -0.028  -0.845  1.00  0.00           C  
HETATM   30  C   UNL     1       3.833  -0.104  -0.086  1.00  0.00           C  
HETATM   31  C   UNL     1       4.953  -0.539  -1.033  1.00  0.00           C  
HETATM   32  C   UNL     1       6.272  -0.617  -0.263  1.00  0.00           C  
HETATM   33  C   UNL     1       7.392  -1.052  -1.211  1.00  0.00           C  
HETATM   34  C   UNL     1       8.711  -1.130  -0.440  1.00  0.00           C  
HETATM   35  C   UNL     1       9.830  -1.565  -1.388  1.00  0.00           C  
HETATM   36  C   UNL     1      11.150  -1.643  -0.617  1.00  0.00           C  
HETATM   37  N   UNL     1       1.403   0.338  -0.209  1.00  0.00           N  
HETATM   38  O   UNL     1       2.506  -0.295  -2.027  1.00  0.00           O  
HETATM   39  H   UNL     1     -12.570  -1.908   1.861  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.938  -4.564   1.361  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.689   0.496   1.014  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.981   0.037   0.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.254  -0.929  -2.145  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.818   0.656  -2.829  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.943   0.026  -1.412  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.046   1.123  -0.933  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.301   1.329  -2.537  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.568  -0.305  -1.883  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.402   2.718  -1.704  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.646   2.468   0.908  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.079   1.660  -1.597  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.557   2.779   0.503  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.887   1.074   0.895  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.910   0.385  -1.277  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.580   2.089  -1.669  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.266   0.709  -1.683  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.744   1.827   0.417  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.074   0.123   0.809  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.097  -0.567  -1.363  1.00  0.00           H  
HETATM   60  H   UNL     1       0.233   1.137  -1.756  1.00  0.00           H  
HETATM   61  H   UNL     1      15.153   1.739   0.380  1.00  0.00           H  
HETATM   62  H   UNL     1      14.394   0.811   1.696  1.00  0.00           H  
HETATM   63  H   UNL     1      12.140  -2.967  -2.145  1.00  0.00           H  
HETATM   64  H   UNL     1      14.086  -1.597  -2.394  1.00  0.00           H  
HETATM   65  H   UNL     1      13.555   0.729  -1.253  1.00  0.00           H  
HETATM   66  H   UNL     1      12.796  -0.199   0.062  1.00  0.00           H  
HETATM   67  H   UNL     1      15.724  -0.376  -0.782  1.00  0.00           H  
HETATM   68  H   UNL     1      14.966  -1.304   0.534  1.00  0.00           H  
HETATM   69  H   UNL     1      16.564  -0.294   2.168  1.00  0.00           H  
HETATM   70  H   UNL     1      17.322   0.634   0.852  1.00  0.00           H  
HETATM   71  H   UNL     1      16.751   2.749   2.014  1.00  0.00           H  
HETATM   72  H   UNL     1      15.992   1.821   3.330  1.00  0.00           H  
HETATM   73  H   UNL     1      18.162   0.716   3.801  1.00  0.00           H  
HETATM   74  H   UNL     1      18.920   1.644   2.485  1.00  0.00           H  
HETATM   75  H   UNL     1      18.305   2.486   3.928  1.00  0.00           H  
HETATM   76  H   UNL     1       4.070   0.875   0.330  1.00  0.00           H  
HETATM   77  H   UNL     1       3.740  -0.829   0.723  1.00  0.00           H  
HETATM   78  H   UNL     1       4.717  -1.519  -1.449  1.00  0.00           H  
HETATM   79  H   UNL     1       5.047   0.186  -1.842  1.00  0.00           H  
HETATM   80  H   UNL     1       6.509   0.362   0.153  1.00  0.00           H  
HETATM   81  H   UNL     1       6.179  -1.342   0.546  1.00  0.00           H  
HETATM   82  H   UNL     1       7.155  -2.032  -1.627  1.00  0.00           H  
HETATM   83  H   UNL     1       7.485  -0.327  -2.019  1.00  0.00           H  
HETATM   84  H   UNL     1       8.947  -0.151  -0.024  1.00  0.00           H  
HETATM   85  H   UNL     1       8.617  -1.855   0.369  1.00  0.00           H  
HETATM   86  H   UNL     1       9.594  -2.545  -1.804  1.00  0.00           H  
HETATM   87  H   UNL     1       9.924  -0.840  -2.196  1.00  0.00           H  
HETATM   88  H   UNL     1      11.056  -2.368   0.191  1.00  0.00           H  
HETATM   89  H   UNL     1      11.386  -0.664  -0.201  1.00  0.00           H  
HETATM   90  H   UNL     1       1.425   0.551   0.737  1.00  0.00           H  
HETATM   91  O   UNL     1      -9.247  -2.482   2.092  1.00  0.00           O  
CONECT    1    2   39                                                 
CONECT    2    1    4    3   91                                       
CONECT    2   91                                                      
CONECT    3    2   40                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   41   42                                       
CONECT    6    5    9    8    7                                       
CONECT    7    6   43   44   45                                       
CONECT    8    6   46   47   48                                       
CONECT    9   10    6   11   49                                       
CONECT   10    9   50                                                 
CONECT   11    9   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   51                                            
CONECT   14   15   13   52   53                                       
CONECT   15   16   14   54   55                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   56                                            
CONECT   19   18   20   57   58                                       
CONECT   20   19   37   59   60                                       
CONECT   21   25   26   61   62                                       
CONECT   22   36   23   23   63                                       
CONECT   23   22   22   24   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   21   67   68                                       
CONECT   26   21   27   69   70                                       
CONECT   27   26   28   71   72                                       
CONECT   28   27   73   74   75                                       
CONECT   29   37   38   38   30                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   22   88   89                                       
CONECT   37   20   29   90                                            
CONECT   38   29   29                                                 
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91    2    2                                                 
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
