COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.149  -1.325   1.255  1.00  0.00           C  
HETATM    2  C   UNL     1       0.050  -2.462   1.281  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.769  -1.715  -0.283  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.990  -0.820   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.833  -0.990  -0.087  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.809   0.347  -0.297  1.00  0.00           C  
HETATM    7  C   UNL     1       4.098   2.213   0.693  1.00  0.00           C  
HETATM    8  C   UNL     1       2.630   1.733   0.745  1.00  0.00           C  
HETATM    9  C   UNL     1       2.597   0.522  -0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       4.778   1.234  -0.290  1.00  0.00           C  
HETATM   11  C   UNL     1       6.201   0.916   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1       1.338  -2.317   1.772  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.377  -1.599   0.283  1.00  0.00           C  
HETATM   14  C   UNL     1       0.487  -0.623  -0.178  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.167   0.087   0.482  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.152  -0.857  -0.477  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.146   1.423   0.265  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.828   1.295   0.657  1.00  0.00           C  
HETATM   19  N   UNL     1       1.708  -0.518   0.309  1.00  0.00           N1+
HETATM   20  N   UNL     1      -2.683  -0.874   0.493  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.831  -0.045   0.879  1.00  0.00           N  
HETATM   22  N   UNL     1     -10.222   0.486  -0.716  1.00  0.00           N1+
HETATM   23  O   UNL     1       4.170   3.552   0.202  1.00  0.00           O  
HETATM   24  O   UNL     1       1.751   2.761   0.283  1.00  0.00           O  
HETATM   25  O   UNL     1       3.960   0.045  -0.253  1.00  0.00           O  
HETATM   26  O   UNL     1       6.827   0.045  -0.770  1.00  0.00           O  
HETATM   27  O   UNL     1       8.751  -1.341  -1.905  1.00  0.00           O  
HETATM   28  O   UNL     1       9.255   0.651  -0.439  1.00  0.00           O  
HETATM   29  O   UNL     1       8.421  -1.440   0.701  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.409  -1.469  -0.773  1.00  0.00           O  
HETATM   31  O   UNL     1     -10.802   1.546  -0.558  1.00  0.00           O1-
HETATM   32  O   UNL     1     -10.804  -0.457  -1.220  1.00  0.00           O  
HETATM   33  P   UNL     1       8.333  -0.496  -0.600  1.00  0.00           P  
HETATM   34  H   UNL     1       3.154  -1.205   1.632  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.606  -3.229   1.666  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.767  -1.387  -1.323  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.097  -2.753  -0.230  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.320  -1.930  -0.228  1.00  0.00           H  
HETATM   39  H   UNL     1       4.557   2.144   1.680  1.00  0.00           H  
HETATM   40  H   UNL     1       2.363   1.429   1.757  1.00  0.00           H  
HETATM   41  H   UNL     1       2.274   0.833  -1.207  1.00  0.00           H  
HETATM   42  H   UNL     1       4.791   1.655  -1.295  1.00  0.00           H  
HETATM   43  H   UNL     1       6.774   1.841   0.250  1.00  0.00           H  
HETATM   44  H   UNL     1       6.165   0.430   1.149  1.00  0.00           H  
HETATM   45  H   UNL     1       1.704  -2.972   2.549  1.00  0.00           H  
HETATM   46  H   UNL     1       0.160   0.058  -0.950  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.669  -1.692  -0.924  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.660   2.363   0.397  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.311   2.136   1.096  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.349  -0.356   1.241  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.511   0.420   1.668  1.00  0.00           H  
HETATM   52  H   UNL     1       3.707   4.199   0.752  1.00  0.00           H  
HETATM   53  H   UNL     1       1.777   3.569   0.814  1.00  0.00           H  
HETATM   54  H   UNL     1       9.649  -1.698  -1.872  1.00  0.00           H  
HETATM   55  H   UNL     1       7.842  -2.214   0.665  1.00  0.00           H  
CONECT    1   19   12   12   34                                       
CONECT    2   13   13   12   35                                       
CONECT    3   13   20   36   37                                       
CONECT    4   21   20   30   30                                       
CONECT    5   15   15   16   38                                       
CONECT    6   17   22   16   16                                       
CONECT    7   23   10    8   39                                       
CONECT    8    7    9   24   40                                       
CONECT    9   25    8   19   41                                       
CONECT   10   25    7   11   42                                       
CONECT   11   10   26   43   44                                       
CONECT   12    1    1    2   45                                       
CONECT   13   14    3    2    2                                       
CONECT   14   19   19   13   46                                       
CONECT   15   18   21    5    5                                       
CONECT   16    6    6    5   47                                       
CONECT   17   18   18    6   48                                       
CONECT   18   17   17   15   49                                       
CONECT   19    9   14   14    1                                       
CONECT   20    4    3   50                                            
CONECT   21   15    4   51                                            
CONECT   22   31    6   32   32                                       
CONECT   23    7   52                                                 
CONECT   24    8   53                                                 
CONECT   25   10    9                                                 
CONECT   26   11   33                                                 
CONECT   27   33   54                                                 
CONECT   28   33   33                                                 
CONECT   29   33   55                                                 
CONECT   30    4    4                                                 
CONECT   31   22                                                      
CONECT   32   22   22                                                 
CONECT   33   26   28   28   27                                       
CONECT   33   29                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
