COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.888   1.863  -8.433  1.00  0.00           P  
HETATM    2  O   UNL     1      -2.112   2.244  -7.693  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.122   3.192  -8.922  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.291   0.974  -9.714  1.00  0.00           O  
HETATM    5  O   UNL     1       0.077   1.010  -7.469  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.655  -0.149  -7.071  1.00  0.00           C  
HETATM    7  C   UNL     1       0.210  -1.008  -6.148  1.00  0.00           C  
HETATM    8  O   UNL     1       0.557  -0.271  -4.953  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.583  -2.231  -5.638  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.268  -3.391  -6.411  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.109  -2.409  -4.178  1.00  0.00           C  
HETATM   12  C   UNL     1       0.918  -1.273  -3.977  1.00  0.00           C  
HETATM   13  N   UNL     1       0.816  -0.727  -2.621  1.00  0.00           N  
HETATM   14  C   UNL     1       0.019   0.304  -2.225  1.00  0.00           C  
HETATM   15  N   UNL     1       0.178   0.526  -0.952  1.00  0.00           N  
HETATM   16  C   UNL     1       1.085  -0.346  -0.452  1.00  0.00           C  
HETATM   17  C   UNL     1       1.639  -0.576   0.817  1.00  0.00           C  
HETATM   18  N   UNL     1       1.264   0.194   1.903  1.00  0.00           N  
HETATM   19  N   UNL     1       2.533  -1.550   0.951  1.00  0.00           N  
HETATM   20  C   UNL     1       2.898  -2.291  -0.079  1.00  0.00           C  
HETATM   21  N   UNL     1       2.405  -2.112  -1.286  1.00  0.00           N  
HETATM   22  C   UNL     1       1.501  -1.165  -1.516  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.483  -1.243   3.507  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.421  -0.942   4.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.078  -0.269   5.632  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.755   0.124   5.847  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.362   0.816   7.019  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.076   1.188   7.207  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.085   0.897   6.238  1.00  0.00           C  
HETATM   30  C   UNL     1       0.246   1.267   6.407  1.00  0.00           C  
HETATM   31  C   UNL     1       1.199   0.968   5.439  1.00  0.00           C  
HETATM   32  C   UNL     1       2.613   1.417   5.713  1.00  0.00           C  
HETATM   33  O   UNL     1       2.720   2.818   5.452  1.00  0.00           O  
HETATM   34  C   UNL     1       3.600   0.664   4.825  1.00  0.00           C  
HETATM   35  O   UNL     1       3.646  -0.710   5.214  1.00  0.00           O  
HETATM   36  C   UNL     1       3.123   0.774   3.372  1.00  0.00           C  
HETATM   37  O   UNL     1       4.134   0.276   2.493  1.00  0.00           O  
HETATM   38  C   UNL     1       1.853  -0.059   3.220  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.870  -0.783   2.907  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.149  -0.866   3.684  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.787  -0.177   4.863  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.450   0.209   5.060  1.00  0.00           C  
HETATM   43  C   UNL     1       0.852   0.296   4.289  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.481  -0.092   4.080  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.157  -1.156   2.716  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.734   3.673  -9.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.467   0.747 -10.167  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.930  -0.727  -7.954  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.558   0.155  -6.542  1.00  0.00           H  
HETATM   50  H   UNL     1       1.111  -1.333  -6.668  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.654  -2.031  -5.669  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.768  -4.126  -6.029  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.944  -2.294  -3.488  1.00  0.00           H  
HETATM   54  H   UNL     1       0.365  -3.381  -4.046  1.00  0.00           H  
HETATM   55  H   UNL     1       1.928  -1.638  -4.163  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.646   0.857  -2.872  1.00  0.00           H  
HETATM   57  H   UNL     1       0.610   0.902   1.793  1.00  0.00           H  
HETATM   58  H   UNL     1       3.627  -3.072   0.074  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.781  -1.770   2.613  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.448  -1.241   4.325  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.833  -0.048   6.372  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.100   1.048   7.772  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.800   1.714   8.109  1.00  0.00           H  
HETATM   64  H   UNL     1       0.543   1.795   7.301  1.00  0.00           H  
HETATM   65  H   UNL     1       2.853   1.228   6.759  1.00  0.00           H  
HETATM   66  H   UNL     1       2.082   3.259   6.030  1.00  0.00           H  
HETATM   67  H   UNL     1       4.592   1.106   4.921  1.00  0.00           H  
HETATM   68  H   UNL     1       3.950  -0.731   6.132  1.00  0.00           H  
HETATM   69  H   UNL     1       2.910   1.816   3.133  1.00  0.00           H  
HETATM   70  H   UNL     1       4.915   0.831   2.623  1.00  0.00           H  
HETATM   71  H   UNL     1       2.106  -1.116   3.303  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.130  -1.016   2.155  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.431  -1.681   1.813  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1   46                                                 
CONECT    4    1   47                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   48   49                                       
CONECT    7    6    8    9   50                                       
CONECT    8    7   12                                                 
CONECT    9    7   10   11   51                                       
CONECT   10    9   52                                                 
CONECT   11    9   12   53   54                                       
CONECT   12    8   11   13   55                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   38   57                                            
CONECT   19   17   17   20                                            
CONECT   20   19   21   21   58                                       
CONECT   21   20   20   22                                            
CONECT   22   13   16   16   21                                       
CONECT   23   24   24   40   59                                       
CONECT   24   23   23   25   60                                       
CONECT   25   24   26   26   61                                       
CONECT   26   25   25   27   41                                       
CONECT   27   26   28   28   62                                       
CONECT   28   27   27   29   63                                       
CONECT   29   28   30   30   42                                       
CONECT   30   29   29   31   64                                       
CONECT   31   30   32   43   43                                       
CONECT   32   31   33   34   65                                       
CONECT   33   32   66                                                 
CONECT   34   32   35   36   67                                       
CONECT   35   34   68                                                 
CONECT   36   34   37   38   69                                       
CONECT   37   36   70                                                 
CONECT   38   18   36   43   71                                       
CONECT   39   44   45   45   72                                       
CONECT   40   23   41   41   45                                       
CONECT   41   26   40   40   42                                       
CONECT   42   29   41   44   44                                       
CONECT   43   31   31   38   44                                       
CONECT   44   39   42   42   43                                       
CONECT   45   39   39   40   73                                       
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   45                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
