COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.229   1.737  -0.928  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.170   2.779  -1.036  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.552   1.703  -0.560  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.312   0.564  -0.244  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.701   0.616  -0.447  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.240   0.102   0.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.948  -0.402  -0.373  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.754  -4.108   0.745  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.740  -2.714  -0.916  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.021  -1.903   1.319  1.00  0.00           C  
HETATM   11  P   UNL     1       6.823  -2.622  -0.422  1.00  0.00           P  
HETATM   12  O   UNL     1       7.194  -3.661  -1.594  1.00  0.00           O  
HETATM   13  O   UNL     1       6.324  -3.433   0.877  1.00  0.00           O  
HETATM   14  O   UNL     1       8.018  -1.821  -0.075  1.00  0.00           O  
HETATM   15  P   UNL     1       5.072  -0.336   0.334  1.00  0.00           P  
HETATM   16  O   UNL     1       6.372   0.535   0.712  1.00  0.00           O  
HETATM   17  O   UNL     1       4.614  -1.081   1.528  1.00  0.00           O  
HETATM   18  C   UNL     1       5.493  -1.513  -0.993  1.00  0.00           C  
HETATM   19  O   UNL     1       3.898   0.644  -0.170  1.00  0.00           O  
HETATM   20  C   UNL     1       3.274   1.611   0.677  1.00  0.00           C  
HETATM   21  C   UNL     1       2.206   2.369  -0.115  1.00  0.00           C  
HETATM   22  O   UNL     1       1.133   1.478  -0.463  1.00  0.00           O  
HETATM   23  C   UNL     1       1.609   3.493   0.754  1.00  0.00           C  
HETATM   24  O   UNL     1       1.827   4.766   0.143  1.00  0.00           O  
HETATM   25  C   UNL     1       0.097   3.167   0.810  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.688   4.355   0.689  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.085   2.254  -0.435  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.250   1.382  -0.270  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.450  -0.376   0.215  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.501  -0.475  -0.154  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.474   2.783  -1.210  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.326  -3.912  -0.555  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.582  -1.711   0.023  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.602  -3.103   1.682  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.357  -0.436   0.514  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.367   0.402   0.233  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.147  -0.206  -1.426  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.212  -5.045   1.027  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.405  -2.560  -1.931  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.897  -1.120   2.053  1.00  0.00           H  
HETATM   41  H   UNL     1       7.896  -4.283  -1.360  1.00  0.00           H  
HETATM   42  H   UNL     1       5.543  -3.980   0.722  1.00  0.00           H  
HETATM   43  H   UNL     1       6.728   1.051  -0.025  1.00  0.00           H  
HETATM   44  H   UNL     1       5.830  -0.964  -1.872  1.00  0.00           H  
HETATM   45  H   UNL     1       4.613  -2.102  -1.248  1.00  0.00           H  
HETATM   46  H   UNL     1       2.809   1.107   1.524  1.00  0.00           H  
HETATM   47  H   UNL     1       4.024   2.314   1.040  1.00  0.00           H  
HETATM   48  H   UNL     1       2.645   2.792  -1.018  1.00  0.00           H  
HETATM   49  H   UNL     1       2.041   3.472   1.755  1.00  0.00           H  
HETATM   50  H   UNL     1       1.471   5.510   0.648  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.152   2.630   1.725  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.608   4.957   1.442  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.181   2.854  -1.340  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.103  -1.288   0.196  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.944   3.674  -1.599  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.449  -4.696  -1.288  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.937  -3.257   2.697  1.00  0.00           H  
CONECT    1   31    5    5                                            
CONECT    2   31   31    3                                            
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    1    1   30    4                                       
CONECT    6   28   29   29   35                                       
CONECT    7   30   33   36   37                                       
CONECT    8   34   34   32   38                                       
CONECT    9   33   32   32   39                                       
CONECT   10   33   33   34   40                                       
CONECT   11   14   14   18   12                                       
CONECT   11   13                                                      
CONECT   12   11   41                                                 
CONECT   13   11   42                                                 
CONECT   14   11   11                                                 
CONECT   15   19   17   17   16                                       
CONECT   15   18                                                      
CONECT   16   15   43                                                 
CONECT   17   15   15                                                 
CONECT   18   15   11   44   45                                       
CONECT   19   20   15                                                 
CONECT   20   21   19   46   47                                       
CONECT   21   23   22   20   48                                       
CONECT   22   27   21                                                 
CONECT   23   25   24   21   49                                       
CONECT   24   23   50                                                 
CONECT   25   26   27   23   51                                       
CONECT   26   25   52                                                 
CONECT   27   25   28   22   53                                       
CONECT   28    3   27    6                                            
CONECT   29    4    6    6                                            
CONECT   30    5    7   54                                            
CONECT   31    2    2    1   55                                       
CONECT   32    9    9    8   56                                       
CONECT   33    7   10   10    9                                       
CONECT   34   10    8    8   57                                       
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
