COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.311  -5.851  -0.160  1.00  0.00           P  
HETATM    2  C   UNL     1       2.901   3.455  -0.236  1.00  0.00           C  
HETATM    3  N   UNL     1       6.689  -4.341  -0.416  1.00  0.00           N  
HETATM    4  O   UNL     1       3.269   4.023   1.023  1.00  0.00           O  
HETATM    5  C   UNL     1       3.792   2.245  -0.528  1.00  0.00           C  
HETATM    6  C   UNL     1       3.652   1.231   0.612  1.00  0.00           C  
HETATM    7  C   UNL     1       4.012   1.913   1.935  1.00  0.00           C  
HETATM    8  C   UNL     1       3.112   3.136   2.132  1.00  0.00           C  
HETATM    9  C   UNL     1       3.500   3.846   3.403  1.00  0.00           C  
HETATM   10  P   UNL     1       0.312   4.004  -0.603  1.00  0.00           P  
HETATM   11  P   UNL     1      -2.522   3.383  -1.212  1.00  0.00           P  
HETATM   12  C   UNL     1       7.200  -3.133  -0.294  1.00  0.00           C  
HETATM   13  O   UNL     1       6.915  -0.791   0.053  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.573  -0.454  -0.416  1.00  0.00           C  
HETATM   15  C   UNL     1       8.692  -2.943  -0.397  1.00  0.00           C  
HETATM   16  C   UNL     1       6.383  -2.034  -0.072  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.765   0.311   0.213  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.948  -0.055   1.582  1.00  0.00           O  
HETATM   19  C   UNL     1       3.856   2.094  -2.959  1.00  0.00           C  
HETATM   20  N   UNL     1       3.379   1.625  -1.789  1.00  0.00           N  
HETATM   21  O   UNL     1       4.627   3.030  -2.967  1.00  0.00           O  
HETATM   22  C   UNL     1       3.431   1.457  -4.256  1.00  0.00           C  
HETATM   23  C   UNL     1       4.995  -2.229   0.021  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.274   1.778   0.086  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.845   2.596   1.110  1.00  0.00           O  
HETATM   26  N   UNL     1       4.558   0.103   0.379  1.00  0.00           N  
HETATM   27  C   UNL     1       4.083  -1.093   0.255  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.750   1.632   0.285  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.404   0.273  -0.007  1.00  0.00           O  
HETATM   30  O   UNL     1       3.816   0.996   3.014  1.00  0.00           O  
HETATM   31  C   UNL     1       4.503  -3.533  -0.116  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.009   2.573  -0.667  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.607   2.517  -0.396  1.00  0.00           O  
HETATM   34  C   UNL     1       5.391  -4.565  -0.335  1.00  0.00           C  
HETATM   35  O   UNL     1       3.958   4.963   3.355  1.00  0.00           O  
HETATM   36  O   UNL     1       3.338   3.238   4.588  1.00  0.00           O  
HETATM   37  C   UNL     1       3.023  -3.804  -0.026  1.00  0.00           C  
HETATM   38  O   UNL     1       1.534   3.040  -0.191  1.00  0.00           O  
HETATM   39  O   UNL     1       0.229   5.236   0.430  1.00  0.00           O  
HETATM   40  O   UNL     1       0.531   4.521  -1.972  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.419  -5.539   1.394  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.824  -2.640  -1.944  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.301  -3.313   1.901  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.338  -2.047   1.431  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.887   4.816  -1.152  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.495   2.900  -2.747  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.066   3.172  -0.557  1.00  0.00           O  
HETATM   48  N   UNL     1      -6.624  -4.130  -0.318  1.00  0.00           N  
HETATM   49  C   UNL     1      -6.449  -4.389   0.994  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.667  -2.859  -0.758  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.522  -1.827   0.093  1.00  0.00           N  
HETATM   52  O   UNL     1       1.405  -7.418  -0.518  1.00  0.00           O  
HETATM   53  O   UNL     1       0.446  -5.170  -1.149  1.00  0.00           O  
HETATM   54  O   UNL     1       0.684  -5.674   1.313  1.00  0.00           O  
HETATM   55  O   UNL     1       2.784  -5.202  -0.198  1.00  0.00           O  
HETATM   56  H   UNL     1       3.030   4.199  -1.022  1.00  0.00           H  
HETATM   57  H   UNL     1       4.831   2.567  -0.602  1.00  0.00           H  
HETATM   58  H   UNL     1       2.624   0.870   0.654  1.00  0.00           H  
HETATM   59  H   UNL     1       5.055   2.228   1.910  1.00  0.00           H  
HETATM   60  H   UNL     1       2.072   2.815   2.197  1.00  0.00           H  
HETATM   61  H   UNL     1       6.994  -0.312  -0.783  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.656  -0.457  -1.503  1.00  0.00           H  
HETATM   63  H   UNL     1       8.964  -2.757  -1.436  1.00  0.00           H  
HETATM   64  H   UNL     1       8.993  -2.093   0.215  1.00  0.00           H  
HETATM   65  H   UNL     1       9.198  -3.842  -0.044  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.679   0.152  -0.360  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.683   0.399   2.016  1.00  0.00           H  
HETATM   68  H   UNL     1       2.762   0.876  -1.782  1.00  0.00           H  
HETATM   69  H   UNL     1       3.915   1.967  -5.088  1.00  0.00           H  
HETATM   70  H   UNL     1       3.720   0.406  -4.256  1.00  0.00           H  
HETATM   71  H   UNL     1       2.349   1.535  -4.362  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.499   2.179  -0.902  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.810   2.647   1.080  1.00  0.00           H  
HETATM   74  H   UNL     1       3.018  -1.261   0.324  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.488   1.868   1.317  1.00  0.00           H  
HETATM   76  H   UNL     1       4.025   1.362   3.884  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.193   2.266  -1.696  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.367   3.592  -0.522  1.00  0.00           H  
HETATM   79  H   UNL     1       5.018  -5.573  -0.442  1.00  0.00           H  
HETATM   80  H   UNL     1       3.601   3.733   5.376  1.00  0.00           H  
HETATM   81  H   UNL     1       2.655  -3.490   0.951  1.00  0.00           H  
HETATM   82  H   UNL     1       2.503  -3.248  -0.806  1.00  0.00           H  
HETATM   83  H   UNL     1       0.086   4.971   1.348  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.156  -3.501   2.954  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.223  -1.214   2.107  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.262   1.968  -2.863  1.00  0.00           H  
HETATM   87  H   UNL     1       0.553  -7.874  -0.514  1.00  0.00           H  
HETATM   88  H   UNL     1       1.200  -6.096   2.013  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.730  -4.862  -0.945  1.00  0.00           H  
CONECT    1   53   53   54   52                                       
CONECT    1   55                                                      
CONECT    2   38    4    5   56                                       
CONECT    3   12   12   34                                            
CONECT    4    2    8                                                 
CONECT    5    2   20    6   57                                       
CONECT    6    5    7   26   58                                       
CONECT    7    6    8   30   59                                       
CONECT    8    4    7    9   60                                       
CONECT    9    8   35   35   36                                       
CONECT   10   40   40   39   47                                       
CONECT   10   38                                                      
CONECT   11   33   45   45   46                                       
CONECT   11   47                                                      
CONECT   12    3    3   16   15                                       
CONECT   13   16   61                                                 
CONECT   14   51   17   29   62                                       
CONECT   15   12   63   64   65                                       
CONECT   16   12   13   23   23                                       
CONECT   17   14   18   24   66                                       
CONECT   18   17   67                                                 
CONECT   19   20   22   21   21                                       
CONECT   20    5   19   68                                            
CONECT   21   19   19                                                 
CONECT   22   19   69   70   71                                       
CONECT   23   16   16   27   31                                       
CONECT   24   17   25   28   72                                       
CONECT   25   24   73                                                 
CONECT   26    6   27   27                                            
CONECT   27   23   26   26   74                                       
CONECT   28   24   29   32   75                                       
CONECT   29   14   28                                                 
CONECT   30    7   76                                                 
CONECT   31   23   37   34   34                                       
CONECT   32   28   33   77   78                                       
CONECT   33   11   32                                                 
CONECT   34    3   31   31   79                                       
CONECT   35    9    9                                                 
CONECT   36    9   80                                                 
CONECT   37   31   55   81   82                                       
CONECT   38    2   10                                                 
CONECT   39   10   83                                                 
CONECT   40   10   10                                                 
CONECT   41   49   49                                                 
CONECT   42   50   50                                                 
CONECT   43   49   44   44   84                                       
CONECT   44   43   43   51   85                                       
CONECT   45   11   11                                                 
CONECT   46   11   86                                                 
CONECT   47   10   11                                                 
CONECT   48   50   49   89                                            
CONECT   49   41   41   43   48                                       
CONECT   50   42   42   48   51                                       
CONECT   51   14   44   50                                            
CONECT   52    1   87                                                 
CONECT   53    1    1                                                 
CONECT   54    1   88                                                 
CONECT   55    1   37                                                 
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   46                                                      
CONECT   87   52                                                      
CONECT   88   54                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
