COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.451  -3.204   0.235  1.00  0.00           C  
HETATM    2  O   UNL     1       2.077  -2.836   0.098  1.00  0.00           O  
HETATM    3  C   UNL     1       3.611  -4.144   1.432  1.00  0.00           C  
HETATM    4  O   UNL     1       2.779  -5.292   1.252  1.00  0.00           O  
HETATM    5  C   UNL     1       3.197  -3.407   2.710  1.00  0.00           C  
HETATM    6  O   UNL     1       3.412  -4.254   3.841  1.00  0.00           O  
HETATM    7  C   UNL     1       4.043  -2.138   2.851  1.00  0.00           C  
HETATM    8  O   UNL     1       5.419  -2.495   2.996  1.00  0.00           O  
HETATM    9  C   UNL     1       3.866  -1.275   1.599  1.00  0.00           C  
HETATM   10  O   UNL     1       4.240  -2.030   0.445  1.00  0.00           O  
HETATM   11  C   UNL     1       4.755  -0.034   1.706  1.00  0.00           C  
HETATM   12  O   UNL     1       4.504   0.828   0.594  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.314  -0.044   0.514  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.998   0.271  -0.841  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.411   0.075  -0.757  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.350  -0.772  -1.783  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.206  -1.906  -1.938  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.048  -1.174  -1.062  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.963  -0.387   0.137  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.845  -0.884  -1.962  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.655  -1.366  -1.335  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.323   4.331   3.678  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.075   2.264  -0.048  1.00  0.00           O  
HETATM   24  O   UNL     1       6.785   3.869   1.027  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.212  -1.833  -3.353  1.00  0.00           O  
HETATM   26  O   UNL     1       2.173  -1.411  -1.984  1.00  0.00           O  
HETATM   27  O   UNL     1       7.054   5.603  -0.144  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.801   0.328  -2.115  1.00  0.00           O  
HETATM   29  O   UNL     1       1.398  -3.799  -2.253  1.00  0.00           O  
HETATM   30  C   UNL     1       3.679   3.170  -2.622  1.00  0.00           C  
HETATM   31  C   UNL     1       4.304   4.386  -2.844  1.00  0.00           C  
HETATM   32  C   UNL     1       3.997   2.409  -1.509  1.00  0.00           C  
HETATM   33  C   UNL     1       5.249   4.852  -1.958  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.019   2.174   3.376  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.007   1.089   2.573  1.00  0.00           C  
HETATM   36  C   UNL     1       5.287   2.024   0.598  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.668   3.343   1.793  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.113  -1.992  -1.086  1.00  0.00           O  
HETATM   39  C   UNL     1       4.943   2.853  -0.613  1.00  0.00           C  
HETATM   40  C   UNL     1       5.580   4.089  -0.825  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.326   3.340   2.970  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.672   2.247   1.011  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.328   1.133   1.385  1.00  0.00           N  
HETATM   44  N   UNL     1       6.501   4.534   0.047  1.00  0.00           N1+
HETATM   45  P   UNL     1      -1.196  -1.229  -2.002  1.00  0.00           P  
HETATM   46  P   UNL     1       1.401  -2.486  -1.321  1.00  0.00           P  
HETATM   47  H   UNL     1       3.785  -3.709  -0.671  1.00  0.00           H  
HETATM   48  H   UNL     1       4.652  -4.458   1.513  1.00  0.00           H  
HETATM   49  H   UNL     1       2.982  -5.805   0.458  1.00  0.00           H  
HETATM   50  H   UNL     1       2.142  -3.139   2.650  1.00  0.00           H  
HETATM   51  H   UNL     1       2.911  -5.081   3.814  1.00  0.00           H  
HETATM   52  H   UNL     1       3.717  -1.579   3.728  1.00  0.00           H  
HETATM   53  H   UNL     1       5.602  -3.047   3.769  1.00  0.00           H  
HETATM   54  H   UNL     1       2.824  -0.969   1.512  1.00  0.00           H  
HETATM   55  H   UNL     1       4.531   0.494   2.633  1.00  0.00           H  
HETATM   56  H   UNL     1       5.802  -0.335   1.703  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.802  -0.888   1.002  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.767   1.286  -1.166  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.884   0.260  -1.580  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.128  -0.326  -2.752  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.064  -1.700  -2.333  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.077  -2.234  -0.808  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.979  -1.385  -2.921  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.762   0.191  -2.122  1.00  0.00           H  
HETATM   65  H   UNL     1       7.709   5.882   0.510  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.771   0.789  -1.265  1.00  0.00           H  
HETATM   67  H   UNL     1       0.910  -4.545  -1.880  1.00  0.00           H  
HETATM   68  H   UNL     1       2.935   2.814  -3.320  1.00  0.00           H  
HETATM   69  H   UNL     1       4.048   4.971  -3.715  1.00  0.00           H  
HETATM   70  H   UNL     1       3.502   1.464  -1.343  1.00  0.00           H  
HETATM   71  H   UNL     1       5.736   5.800  -2.133  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.555   2.155   4.314  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.530   0.191   2.866  1.00  0.00           H  
HETATM   74  H   UNL     1       5.075   2.595   1.502  1.00  0.00           H  
HETATM   75  H   UNL     1       6.346   1.765   0.572  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.191   4.137   1.508  1.00  0.00           H  
CONECT    1   10    2    3   47                                       
CONECT    2    1   46                                                 
CONECT    3    1    5    4   48                                       
CONECT    4    3   49                                                 
CONECT    5    3    7    6   50                                       
CONECT    6    5   51                                                 
CONECT    7    5    9    8   52                                       
CONECT    8    7   53                                                 
CONECT    9    7   11   10   54                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   55   56                                       
CONECT   12   11   36                                                 
CONECT   13   14   19   43   57                                       
CONECT   14   13   16   15   58                                       
CONECT   15   14   59                                                 
CONECT   16   14   17   18   60                                       
CONECT   17   16   61                                                 
CONECT   18   16   20   19   62                                       
CONECT   19   13   18                                                 
CONECT   20   18   21   63   64                                       
CONECT   21   20   45                                                 
CONECT   22   41   41                                                 
CONECT   23   42   42                                                 
CONECT   24   44   44                                                 
CONECT   25   45   45                                                 
CONECT   26   46   46                                                 
CONECT   27   44   65                                                 
CONECT   28   45   66                                                 
CONECT   29   46   67                                                 
CONECT   30   31   31   32   68                                       
CONECT   31   30   30   33   69                                       
CONECT   32   30   39   39   70                                       
CONECT   33   31   40   40   71                                       
CONECT   34   35   35   41   72                                       
CONECT   35   34   34   43   73                                       
CONECT   36   12   39   74   75                                       
CONECT   37   41   42   76                                            
CONECT   38   46   45                                                 
CONECT   39   32   32   36   40                                       
CONECT   40   33   33   39   44                                       
CONECT   41   22   22   34   37                                       
CONECT   42   23   23   37   43                                       
CONECT   43   13   35   42                                            
CONECT   44   24   24   27   40                                       
CONECT   45   21   25   25   28                                       
CONECT   45   38                                                      
CONECT   46    2   26   26   29                                       
CONECT   46   38                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
