COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.491  -2.779  -1.073  1.00  0.00           P  
HETATM    2  O   UNL     1       1.036  -3.219  -2.411  1.00  0.00           O  
HETATM    3  O   UNL     1       2.394  -3.934  -0.407  1.00  0.00           O  
HETATM    4  O   UNL     1       0.211  -2.493  -0.139  1.00  0.00           O  
HETATM    5  O   UNL     1       2.362  -1.433  -1.217  1.00  0.00           O  
HETATM    6  C   UNL     1       3.505  -1.333  -2.068  1.00  0.00           C  
HETATM    7  C   UNL     1       4.094   0.075  -1.969  1.00  0.00           C  
HETATM    8  O   UNL     1       4.624   0.292  -0.650  1.00  0.00           O  
HETATM    9  C   UNL     1       5.262   0.226  -2.962  1.00  0.00           C  
HETATM   10  O   UNL     1       4.991   1.272  -3.898  1.00  0.00           O  
HETATM   11  C   UNL     1       6.473   0.598  -2.071  1.00  0.00           C  
HETATM   12  O   UNL     1       7.270   1.609  -2.690  1.00  0.00           O  
HETATM   13  C   UNL     1       5.782   1.142  -0.795  1.00  0.00           C  
HETATM   14  N   UNL     1       6.666   1.012   0.366  1.00  0.00           N1+
HETATM   15  C   UNL     1       6.840  -0.177   0.908  1.00  0.00           C  
HETATM   16  C   UNL     1       7.666  -0.348   2.005  1.00  0.00           C  
HETATM   17  C   UNL     1       8.318   0.749   2.539  1.00  0.00           C  
HETATM   18  C   UNL     1       8.113   1.999   1.941  1.00  0.00           C  
HETATM   19  C   UNL     1       7.268   2.086   0.834  1.00  0.00           C  
HETATM   20  C   UNL     1       8.784   3.204   2.471  1.00  0.00           C  
HETATM   21  O   UNL     1       8.599   4.283   1.944  1.00  0.00           O  
HETATM   22  O   UNL     1       9.600   3.106   3.538  1.00  0.00           O  
HETATM   23  P   UNL     1      -1.164  -3.279   0.146  1.00  0.00           P  
HETATM   24  O   UNL     1      -1.680  -3.846  -1.121  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.895  -4.470   1.196  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.249  -2.259   0.758  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.604  -2.630   1.020  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.359  -1.429   1.596  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.540  -0.416   0.583  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.791  -1.840   2.004  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.858  -2.095   3.408  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.653  -0.611   1.636  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.278  -0.071   2.802  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.639   0.396   1.049  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.239   1.131  -0.067  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.963   2.293   0.022  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.343   3.088   1.017  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.055   4.169   0.777  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.424   4.519  -0.441  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.090   3.787  -1.499  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.330   2.623  -1.294  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.822   1.662  -2.103  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.176   0.789  -1.385  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.483   4.161  -2.772  1.00  0.00           N  
HETATM   45  H   UNL     1       2.727  -3.713   0.474  1.00  0.00           H  
HETATM   46  H   UNL     1       4.254  -2.063  -1.758  1.00  0.00           H  
HETATM   47  H   UNL     1       3.210  -1.532  -3.099  1.00  0.00           H  
HETATM   48  H   UNL     1       3.323   0.815  -2.184  1.00  0.00           H  
HETATM   49  H   UNL     1       5.444  -0.714  -3.484  1.00  0.00           H  
HETATM   50  H   UNL     1       5.694   1.410  -4.548  1.00  0.00           H  
HETATM   51  H   UNL     1       7.073  -0.283  -1.844  1.00  0.00           H  
HETATM   52  H   UNL     1       7.651   1.345  -3.539  1.00  0.00           H  
HETATM   53  H   UNL     1       5.480   2.180  -0.935  1.00  0.00           H  
HETATM   54  H   UNL     1       6.330  -1.032   0.489  1.00  0.00           H  
HETATM   55  H   UNL     1       7.800  -1.327   2.440  1.00  0.00           H  
HETATM   56  H   UNL     1       8.968   0.645   3.396  1.00  0.00           H  
HETATM   57  H   UNL     1       7.103   3.042   0.360  1.00  0.00           H  
HETATM   58  H   UNL     1      10.016   3.922   3.848  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.555  -4.171   2.050  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.081  -2.947   0.093  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.624  -3.450   1.738  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.822  -1.020   2.452  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.112  -2.717   1.442  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.735  -2.357   3.720  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.402  -0.880   0.891  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.880  -0.684   3.245  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.300   1.087   1.821  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.347   4.793   1.609  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.671  -0.082  -1.776  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.007   4.967  -2.900  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.233   3.618  -3.536  1.00  0.00           H  
CONECT    1    2    2    4    3                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1   45                                                 
CONECT    4   23    1                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   46   47                                       
CONECT    7    6    9    8   48                                       
CONECT    8    7   13                                                 
CONECT    9   10    7   11   49                                       
CONECT   10    9   50                                                 
CONECT   11    9   12   13   51                                       
CONECT   12   11   52                                                 
CONECT   13   11    8   14   53                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   17   55                                       
CONECT   17   16   16   18   56                                       
CONECT   18   19   19   17   20                                       
CONECT   19   14   18   18   57                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   58                                                 
CONECT   23   24   24   25    4                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   59                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   60   61                                       
CONECT   28   27   29   30   62                                       
CONECT   29   28   34                                                 
CONECT   30   28   32   31   63                                       
CONECT   31   30   64                                                 
CONECT   32   34   30   33   65                                       
CONECT   33   32   66                                                 
CONECT   34   29   35   32   67                                       
CONECT   35   43   36   34                                            
CONECT   36   41   41   35   37                                       
CONECT   37   36   38   38                                            
CONECT   38   39   37   37   68                                       
CONECT   39   40   40   38                                            
CONECT   40   44   41   39   39                                       
CONECT   41   42   40   36   36                                       
CONECT   42   43   43   41                                            
CONECT   43   42   42   35   69                                       
CONECT   44   40   70   71                                            
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   43                                                      
CONECT   70   44                                                      
CONECT   71   44                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
