COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.916  -0.886   1.828  1.00  0.00           O  
HETATM    2  P   UNL     1      -8.114  -1.869   0.836  1.00  0.00           P  
HETATM    3  O   UNL     1      -8.104  -3.358   1.449  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.778  -1.884  -0.486  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.600  -1.346   0.670  1.00  0.00           O  
HETATM    6  P   UNL     1      -5.919  -0.128  -0.132  1.00  0.00           P  
HETATM    7  O   UNL     1      -6.479   1.155   0.350  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.221  -0.287  -1.706  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.118  -0.148   0.146  1.00  0.00           C  
HETATM   10 CL   UNL     1      -3.780   0.030   1.908  1.00  0.00          Cl  
HETATM   11 CL   UNL     1      -3.436  -1.711  -0.441  1.00  0.00          Cl  
HETATM   12  P   UNL     1      -3.347   1.231  -0.763  1.00  0.00           P  
HETATM   13  O   UNL     1      -3.906   2.513  -0.281  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.648   1.071  -2.336  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.756   1.213  -0.517  1.00  0.00           O  
HETATM   16  P   UNL     1      -0.535   2.134  -1.021  1.00  0.00           P  
HETATM   17  O   UNL     1      -0.910   3.561  -0.896  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.210   1.798  -2.561  1.00  0.00           O  
HETATM   19  O   UNL     1       0.766   1.841  -0.120  1.00  0.00           O  
HETATM   20  C   UNL     1       1.985   2.576  -0.251  1.00  0.00           C  
HETATM   21  C   UNL     1       3.012   2.042   0.750  1.00  0.00           C  
HETATM   22  O   UNL     1       3.380   0.697   0.403  1.00  0.00           O  
HETATM   23  C   UNL     1       4.293   2.897   0.692  1.00  0.00           C  
HETATM   24  O   UNL     1       4.552   3.496   1.963  1.00  0.00           O  
HETATM   25  C   UNL     1       5.408   1.886   0.332  1.00  0.00           C  
HETATM   26  O   UNL     1       6.595   2.146   1.084  1.00  0.00           O  
HETATM   27  C   UNL     1       7.514   3.026   0.433  1.00  0.00           C  
HETATM   28  C   UNL     1       4.771   0.537   0.753  1.00  0.00           C  
HETATM   29  N   UNL     1       5.368  -0.572   0.004  1.00  0.00           N  
HETATM   30  C   UNL     1       4.878  -1.128  -1.141  1.00  0.00           C  
HETATM   31  N   UNL     1       5.659  -2.091  -1.537  1.00  0.00           N1+
HETATM   32  C   UNL     1       5.449  -2.914  -2.730  1.00  0.00           C  
HETATM   33  C   UNL     1       6.697  -2.214  -0.673  1.00  0.00           C  
HETATM   34  C   UNL     1       6.525  -1.237   0.323  1.00  0.00           C  
HETATM   35  N   UNL     1       7.419  -1.146   1.301  1.00  0.00           N  
HETATM   36  C   UNL     1       8.459  -1.963   1.340  1.00  0.00           C  
HETATM   37  N   UNL     1       9.370  -1.839   2.376  1.00  0.00           N  
HETATM   38  N   UNL     1       8.658  -2.899   0.420  1.00  0.00           N  
HETATM   39  C   UNL     1       7.819  -3.054  -0.595  1.00  0.00           C  
HETATM   40  O   UNL     1       8.031  -4.012  -1.529  1.00  0.00           O1-
HETATM   41  H   UNL     1      -8.535  -0.827   2.715  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.984  -3.737   1.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.882  -1.107  -2.090  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.309   0.251  -2.721  1.00  0.00           H  
HETATM   45  H   UNL     1       0.044   0.878  -2.718  1.00  0.00           H  
HETATM   46  H   UNL     1       2.372   2.461  -1.264  1.00  0.00           H  
HETATM   47  H   UNL     1       1.797   3.630  -0.052  1.00  0.00           H  
HETATM   48  H   UNL     1       2.594   2.065   1.756  1.00  0.00           H  
HETATM   49  H   UNL     1       4.207   3.661  -0.081  1.00  0.00           H  
HETATM   50  H   UNL     1       3.884   4.139   2.238  1.00  0.00           H  
HETATM   51  H   UNL     1       5.616   1.900  -0.738  1.00  0.00           H  
HETATM   52  H   UNL     1       7.031   3.986   0.251  1.00  0.00           H  
HETATM   53  H   UNL     1       8.388   3.173   1.068  1.00  0.00           H  
HETATM   54  H   UNL     1       7.824   2.590  -0.517  1.00  0.00           H  
HETATM   55  H   UNL     1       4.881   0.379   1.827  1.00  0.00           H  
HETATM   56  H   UNL     1       3.976  -0.815  -1.645  1.00  0.00           H  
HETATM   57  H   UNL     1       5.940  -2.447  -3.584  1.00  0.00           H  
HETATM   58  H   UNL     1       5.869  -3.906  -2.566  1.00  0.00           H  
HETATM   59  H   UNL     1       4.380  -3.000  -2.929  1.00  0.00           H  
HETATM   60  H   UNL     1       9.239  -1.160   3.057  1.00  0.00           H  
HETATM   61  H   UNL     1      10.138  -2.429   2.420  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    5    4    4    1                                       
CONECT    2    3                                                      
CONECT    3    2   42                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2                                                 
CONECT    6    7    7    9    5                                       
CONECT    6    8                                                      
CONECT    7    6    6                                                 
CONECT    8    6   43                                                 
CONECT    9   11   12    6   10                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12   13   13   15    9                                       
CONECT   12   14                                                      
CONECT   13   12   12                                                 
CONECT   14   12   44                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   17   19                                       
CONECT   16   18                                                      
CONECT   17   16   16                                                 
CONECT   18   16   45                                                 
CONECT   19   20   16                                                 
CONECT   20   21   19   46   47                                       
CONECT   21   23   20   22   48                                       
CONECT   22   21   28                                                 
CONECT   23   24   25   21   49                                       
CONECT   24   23   50                                                 
CONECT   25   23   26   28   51                                       
CONECT   26   25   27                                                 
CONECT   27   26   52   53   54                                       
CONECT   28   25   29   22   55                                       
CONECT   29   34   30   28                                            
CONECT   30   31   31   29   56                                       
CONECT   31   33   32   30   30                                       
CONECT   32   31   57   58   59                                       
CONECT   33   39   34   34   31                                       
CONECT   34   35   33   33   29                                       
CONECT   35   36   36   34                                            
CONECT   36   37   38   35   35                                       
CONECT   37   36   60   61                                            
CONECT   38   36   39   39                                            
CONECT   39   38   38   40   33                                       
CONECT   40   39                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    8                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   37                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
