COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.294   1.618   0.992  1.00  0.00           C  
HETATM    2  C   UNL     1       3.142  -3.136  -0.443  1.00  0.00           C  
HETATM    3  C   UNL     1       1.798  -2.845  -0.587  1.00  0.00           C  
HETATM    4  C   UNL     1       1.189  -1.940   0.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.348  -3.978  -0.965  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.442  -3.137  -1.586  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.877  -1.946  -2.146  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.222  -1.606  -2.093  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.378   1.943   0.866  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.695  -0.316  -2.712  1.00  0.00           C  
HETATM   11  C   UNL     1       3.889   3.853   1.578  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.669  -4.551  -0.231  1.00  0.00           C  
HETATM   13  O   UNL     1       0.013  -1.111  -2.746  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.824   0.750  -1.642  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.765   1.610  -1.389  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.889   2.592  -0.417  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.059   2.692   0.315  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.106   1.829   0.066  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.991   0.859  -0.913  1.00  0.00           C  
HETATM   20  C   UNL     1       1.008  -3.525  -1.676  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.422  -2.631   1.672  1.00  0.00           O  
HETATM   22  C   UNL     1       0.381   2.921   0.528  1.00  0.00           C  
HETATM   23  C   UNL     1       1.368   1.046   1.661  1.00  0.00           C  
HETATM   24  C   UNL     1       1.546   3.644   0.721  1.00  0.00           C  
HETATM   25  C   UNL     1       2.529   1.772   1.843  1.00  0.00           C  
HETATM   26  C   UNL     1       2.620   3.066   1.374  1.00  0.00           C  
HETATM   27  C   UNL     1       1.265  -0.354   2.204  1.00  0.00           C  
HETATM   28  C   UNL     1       1.929  -1.324   1.265  1.00  0.00           C  
HETATM   29  C   UNL     1       3.275  -1.610   1.401  1.00  0.00           C  
HETATM   30  C   UNL     1       3.880  -2.516   0.550  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.123  -2.449  -1.475  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.685  -3.634  -0.910  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.845   0.902   0.797  1.00  0.00           O  
HETATM   34  P   UNL     1       5.005   3.585   0.162  1.00  0.00           P  
HETATM   35  O   UNL     1       5.463   2.042   0.124  1.00  0.00           O  
HETATM   36  O   UNL     1       4.298   3.920  -1.094  1.00  0.00           O  
HETATM   37  O   UNL     1       6.302   4.526   0.315  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.132  -1.655   0.124  1.00  0.00           O  
HETATM   39  C   UNL     1       5.346  -2.829   0.705  1.00  0.00           C  
HETATM   40  P   UNL     1       6.325  -1.680  -0.317  1.00  0.00           P  
HETATM   41  O   UNL     1       7.879  -2.097  -0.255  1.00  0.00           O  
HETATM   42  O   UNL     1       5.853  -1.742  -1.718  1.00  0.00           O  
HETATM   43  O   UNL     1       6.148  -0.181   0.243  1.00  0.00           O  
HETATM   44  P   UNL     1      -6.522   3.088   0.027  1.00  0.00           P  
HETATM   45  O   UNL     1      -7.929   3.109   0.809  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.890   4.568   0.019  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.739   2.636  -1.366  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.605   1.483  -2.085  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.772   3.572  -0.183  1.00  0.00           C  
HETATM   50  P   UNL     1      -3.795  -4.107   1.533  1.00  0.00           P  
HETATM   51  O   UNL     1      -4.744  -5.167   2.286  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.447  -4.130   2.145  1.00  0.00           O  
HETATM   53  H   UNL     1       3.616  -3.846  -1.104  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.010  -4.904  -0.524  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.843   0.961   0.950  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.149   2.322   1.861  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.978   0.010  -3.465  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.667  -0.474  -3.181  1.00  0.00           H  
HETATM   59  H   UNL     1       3.650   4.914   1.656  1.00  0.00           H  
HETATM   60  H   UNL     1       4.378   3.523   2.494  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.646  -4.448  -0.702  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.328  -5.582  -0.323  1.00  0.00           H  
HETATM   63  H   UNL     1       0.136  -1.280  -3.690  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.152   3.447   1.081  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.815   0.188  -1.106  1.00  0.00           H  
HETATM   66  H   UNL     1       1.402  -3.227  -2.648  1.00  0.00           H  
HETATM   67  H   UNL     1       1.100  -4.606  -1.567  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.307  -2.543   1.291  1.00  0.00           H  
HETATM   69  H   UNL     1       1.616   4.660   0.362  1.00  0.00           H  
HETATM   70  H   UNL     1       3.369   1.325   2.354  1.00  0.00           H  
HETATM   71  H   UNL     1       1.753  -0.402   3.177  1.00  0.00           H  
HETATM   72  H   UNL     1       0.214  -0.623   2.313  1.00  0.00           H  
HETATM   73  H   UNL     1       3.854  -1.125   2.172  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.169  -2.185  -1.432  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.857   0.400  -0.029  1.00  0.00           H  
HETATM   76  H   UNL     1       5.934   1.752   0.918  1.00  0.00           H  
HETATM   77  H   UNL     1       6.942   4.435  -0.405  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.716  -2.230   0.637  1.00  0.00           H  
HETATM   79  H   UNL     1       5.633  -2.720   1.751  1.00  0.00           H  
HETATM   80  H   UNL     1       5.535  -3.853   0.382  1.00  0.00           H  
HETATM   81  H   UNL     1       8.460  -1.527  -0.777  1.00  0.00           H  
HETATM   82  H   UNL     1       6.438  -0.066   1.158  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.588   3.698   0.417  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.721   4.928   0.901  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.575   2.004  -2.899  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.428   3.958  -1.143  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.143   4.400   0.422  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.857  -4.993   3.231  1.00  0.00           H  
CONECT    1   23   33   22   22                                       
CONECT    2   30   30    3   53                                       
CONECT    3    2   20    4    4                                       
CONECT    4    3    3   28   38                                       
CONECT    5    6    6   32   54                                       
CONECT    6   20    5    5    7                                       
CONECT    7    6   13    8    8                                       
CONECT    8    7    7   31   10                                       
CONECT    9   18   44   55   56                                       
CONECT   10    8   14   57   58                                       
CONECT   11   26   34   59   60                                       
CONECT   12   50   32   61   62                                       
CONECT   13    7   63                                                 
CONECT   14   10   15   15   19                                       
CONECT   15   48   14   14   16                                       
CONECT   16   15   49   17   17                                       
CONECT   17   16   16   18   64                                       
CONECT   18   19   19   17    9                                       
CONECT   19   14   18   18   65                                       
CONECT   20    3    6   66   67                                       
CONECT   21   50   68                                                 
CONECT   22    1    1   24   49                                       
CONECT   23   27   25   25    1                                       
CONECT   24   26   26   22   69                                       
CONECT   25   23   23   26   70                                       
CONECT   26   25   11   24   24                                       
CONECT   27   28   23   71   72                                       
CONECT   28   29   29    4   27                                       
CONECT   29   30   28   28   73                                       
CONECT   30   39    2    2   29                                       
CONECT   31   32   32    8   74                                       
CONECT   32    5   12   31   31                                       
CONECT   33    1   75                                                 
CONECT   34   36   36   11   37                                       
CONECT   34   35                                                      
CONECT   35   34   76                                                 
CONECT   36   34   34                                                 
CONECT   37   34   77                                                 
CONECT   38    4   78                                                 
CONECT   39   40   30   79   80                                       
CONECT   40   42   42   41   43                                       
CONECT   40   39                                                      
CONECT   41   40   81                                                 
CONECT   42   40   40                                                 
CONECT   43   40   82                                                 
CONECT   44    9   47   47   46                                       
CONECT   44   45                                                      
CONECT   45   44   83                                                 
CONECT   46   44   84                                                 
CONECT   47   44   44                                                 
CONECT   48   15   85                                                 
CONECT   49   22   16   86   87                                       
CONECT   50   52   52   21   12                                       
CONECT   50   51                                                      
CONECT   51   50   88                                                 
CONECT   52   50   50                                                 
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   43                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
CONECT   88   51                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
