COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.883   0.314   0.065  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.908  -0.171  -0.534  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.717   0.059  -1.893  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.917  -0.978   0.161  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.036  -2.361   0.260  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.065  -3.095   0.934  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.990  -2.422   1.497  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.820  -0.359   0.744  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.890  -1.084   1.392  1.00  0.00           N1+
HETATM   10  C   UNL     1      -0.729  -0.392   2.006  1.00  0.00           C  
HETATM   11  C   UNL     1       0.394  -0.237   0.995  1.00  0.00           C  
HETATM   12  O   UNL     1       1.187  -1.402   0.903  1.00  0.00           O  
HETATM   13  C   UNL     1       1.147   0.950   1.561  1.00  0.00           C  
HETATM   14  O   UNL     1       1.951   0.524   2.661  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.059   0.936   2.452  1.00  0.00           O  
HETATM   16  C   UNL     1       0.018   1.830   2.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.504   2.814   1.051  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.552   3.577   1.624  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.296   4.718   0.718  1.00  0.00           P  
HETATM   20  O   UNL     1      -3.558   5.143   1.436  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.280   5.747   0.272  1.00  0.00           O1-
HETATM   22  P   UNL     1      -3.495   4.192  -1.937  1.00  0.00           P  
HETATM   23  O   UNL     1      -2.818   5.247  -2.763  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.714   3.809  -0.573  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.656   2.765  -2.682  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.995   4.566  -1.457  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.736   3.649  -0.671  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.098   4.257  -0.368  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.792   4.467  -1.620  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.945   3.605  -1.663  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.722   2.547  -0.593  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.940   2.000  -0.130  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.986   3.341   0.468  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.919   4.142   1.195  1.00  0.00           O  
HETATM   35  N   UNL     1      -9.106   3.064  -3.010  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.096   2.764  -3.887  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.551   2.292  -5.029  1.00  0.00           N  
HETATM   38  C   UNL     1      -9.916   2.285  -4.887  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.946   1.901  -5.740  1.00  0.00           C  
HETATM   40  N   UNL     1     -10.666   1.406  -7.026  1.00  0.00           N  
HETATM   41  C   UNL     1     -10.282   2.762  -3.639  1.00  0.00           C  
HETATM   42  N   UNL     1     -11.526   2.897  -3.154  1.00  0.00           N  
HETATM   43  C   UNL     1     -12.435   2.494  -4.068  1.00  0.00           C  
HETATM   44  N   UNL     1     -12.228   2.010  -5.316  1.00  0.00           N  
HETATM   45  P   UNL     1      -8.236  -3.238   3.864  1.00  0.00           P  
HETATM   46  O   UNL     1      -8.983  -4.212   4.728  1.00  0.00           O  
HETATM   47  O   UNL     1      -9.146  -2.104   3.156  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.099  -2.380   4.628  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.424  -3.905   2.630  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.693  -3.059   1.765  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.008  -3.870   0.681  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.112  -5.096   0.627  1.00  0.00           O  
HETATM   53  C   UNL     1      -5.195  -3.081  -0.348  1.00  0.00           C  
HETATM   54  O   UNL     1      -4.718  -3.973  -1.351  1.00  0.00           O  
HETATM   55  H   UNL     1      -3.905  -0.336  -2.354  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.373   0.614  -2.433  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.138  -4.174   1.024  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.198  -2.927   2.036  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.655   0.712   0.712  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.455  -1.010   2.867  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.006   0.000   0.003  1.00  0.00           H  
HETATM   62  H   UNL     1       1.511  -1.460  -0.013  1.00  0.00           H  
HETATM   63  H   UNL     1       1.804   1.442   0.840  1.00  0.00           H  
HETATM   64  H   UNL     1       2.515  -0.190   2.327  1.00  0.00           H  
HETATM   65  H   UNL     1       0.312   2.377   2.991  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.892   2.281   0.178  1.00  0.00           H  
HETATM   67  H   UNL     1       0.292   3.492   0.732  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.983   2.747  -3.607  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.856   2.717  -1.225  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.197   3.455   0.258  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.961   5.236   0.102  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.844   4.203  -1.482  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.088   1.734  -0.968  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.276   1.411  -0.828  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.446   2.722   1.189  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.534   4.280   2.073  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.054   2.910  -3.637  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.715   1.360  -7.340  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.423   1.194  -7.648  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.473   2.568  -3.761  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.789  -1.603   3.701  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.323  -1.946   5.479  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.391  -2.359   1.299  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.954  -2.509   2.352  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.888  -2.387  -0.850  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.345  -4.712  -1.385  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   55   56                                            
CONECT    4    2    5    8    8                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    9    9   58                                       
CONECT    8    4    4    9   59                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   11   15   60                                       
CONECT   11   10   12   13   61                                       
CONECT   12   11   62                                                 
CONECT   13   11   14   16   63                                       
CONECT   14   13   64                                                 
CONECT   15   10   16                                                 
CONECT   16   13   15   17   65                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   24                                                      
CONECT   20   19   19                                                 
CONECT   21   19                                                      
CONECT   22   23   23   24   25                                       
CONECT   22   26                                                      
CONECT   23   22   22                                                 
CONECT   24   19   22                                                 
CONECT   25   22   68                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   33   71                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   35   72                                       
CONECT   31   30   32   33   73                                       
CONECT   32   31   74                                                 
CONECT   33   28   31   34   75                                       
CONECT   34   33   76                                                 
CONECT   35   30   36   41                                            
CONECT   36   35   37   37   77                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   39   41                                       
CONECT   39   38   38   40   44                                       
CONECT   40   39   78   79                                            
CONECT   41   35   38   42   42                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   44   80                                       
CONECT   44   39   43   43                                            
CONECT   45   46   46   47   48                                       
CONECT   45   49                                                      
CONECT   46   45   45                                                 
CONECT   47   45   81                                                 
CONECT   48   45   82                                                 
CONECT   49   45   50                                                 
CONECT   50   49   51   83   84                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53    5   51   54   85                                       
CONECT   54   53   86                                                 
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   43                                                      
CONECT   81   47                                                      
CONECT   82   48                                                      
CONECT   83   50                                                      
CONECT   84   50                                                      
CONECT   85   53                                                      
CONECT   86   54                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
