COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.570   2.581  -1.880  1.00  0.00           N  
HETATM    2  C   UNL     1       2.920   3.816  -1.527  1.00  0.00           C  
HETATM    3  O   UNL     1       2.871   4.688  -2.377  1.00  0.00           O  
HETATM    4  N   UNL     1       3.321   4.160  -0.296  1.00  0.00           N  
HETATM    5  C   UNL     1       3.401   3.246   0.698  1.00  0.00           C  
HETATM    6  O   UNL     1       3.765   3.555   1.816  1.00  0.00           O  
HETATM    7  C   UNL     1       3.025   1.853   0.367  1.00  0.00           C  
HETATM    8  N   UNL     1       3.065   0.891   1.252  1.00  0.00           N  
HETATM    9  C   UNL     1       2.713  -0.357   0.921  1.00  0.00           C  
HETATM   10  C   UNL     1       2.768  -1.381   1.887  1.00  0.00           C  
HETATM   11  C   UNL     1       2.415  -2.653   1.551  1.00  0.00           C  
HETATM   12  C   UNL     1       2.470  -3.741   2.593  1.00  0.00           C  
HETATM   13  C   UNL     1       2.003  -2.958   0.258  1.00  0.00           C  
HETATM   14  C   UNL     1       1.618  -4.374  -0.086  1.00  0.00           C  
HETATM   15  C   UNL     1       1.944  -1.980  -0.708  1.00  0.00           C  
HETATM   16  C   UNL     1       2.299  -0.671  -0.393  1.00  0.00           C  
HETATM   17  N   UNL     1       2.243   0.311  -1.359  1.00  0.00           N  
HETATM   18  C   UNL     1       2.597   1.581  -1.014  1.00  0.00           C  
HETATM   19  C   UNL     1       1.810  -0.002  -2.723  1.00  0.00           C  
HETATM   20  C   UNL     1       0.294   0.171  -2.830  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.352  -0.711  -1.911  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.157  -0.156  -4.255  1.00  0.00           C  
HETATM   23  O   UNL     1       0.489   0.726  -5.174  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.673   0.016  -4.362  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.319  -0.866  -3.442  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.124  -0.310  -5.786  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.541  -0.148  -5.886  1.00  0.00           O  
HETATM   28  P   UNL     1      -3.944  -0.507  -7.403  1.00  0.00           P  
HETATM   29  O   UNL     1      -3.553  -1.903  -7.701  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.535  -0.345  -7.588  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.182   0.490  -8.411  1.00  0.00           O  
HETATM   32  C   UNL     1       5.600  -1.457   2.755  1.00  0.00           C  
HETATM   33  O   UNL     1       5.225  -2.558   2.429  1.00  0.00           O  
HETATM   34  O   UNL     1       6.900  -1.137   2.667  1.00  0.00           O  
HETATM   35  C   UNL     1       4.607  -0.442   3.260  1.00  0.00           C  
HETATM   36  C   UNL     1       3.211  -1.067   3.293  1.00  0.00           C  
HETATM   37  C   UNL     1       2.226  -0.084   3.931  1.00  0.00           C  
HETATM   38  C   UNL     1       0.860  -0.756   4.081  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.087   0.180   4.833  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.454  -0.491   4.984  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.402   0.444   5.735  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.769  -0.227   5.886  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.717   0.709   6.637  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.083   0.037   6.788  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.032   0.973   7.539  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.398   0.301   7.690  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.347   1.238   8.442  1.00  0.00           C  
HETATM   48  H   UNL     1       3.560   5.082  -0.114  1.00  0.00           H  
HETATM   49  H   UNL     1       1.550  -3.732   3.176  1.00  0.00           H  
HETATM   50  H   UNL     1       2.581  -4.708   2.102  1.00  0.00           H  
HETATM   51  H   UNL     1       3.320  -3.569   3.253  1.00  0.00           H  
HETATM   52  H   UNL     1       0.552  -4.514   0.092  1.00  0.00           H  
HETATM   53  H   UNL     1       1.838  -4.564  -1.136  1.00  0.00           H  
HETATM   54  H   UNL     1       2.185  -5.067   0.535  1.00  0.00           H  
HETATM   55  H   UNL     1       1.624  -2.228  -1.709  1.00  0.00           H  
HETATM   56  H   UNL     1       2.303   0.671  -3.424  1.00  0.00           H  
HETATM   57  H   UNL     1       2.076  -1.032  -2.960  1.00  0.00           H  
HETATM   58  H   UNL     1       0.028   1.201  -2.592  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.091  -1.610  -2.155  1.00  0.00           H  
HETATM   60  H   UNL     1       0.108  -1.186  -4.492  1.00  0.00           H  
HETATM   61  H   UNL     1       0.228   1.624  -4.929  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.939   1.046  -4.124  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.058  -1.764  -3.687  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.631   0.362  -6.487  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.859  -1.340  -6.024  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.734  -0.569  -8.507  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.465   1.386  -8.184  1.00  0.00           H  
HETATM   68  H   UNL     1       7.537  -1.788   2.343  1.00  0.00           H  
HETATM   69  H   UNL     1       4.602   0.422   2.597  1.00  0.00           H  
HETATM   70  H   UNL     1       4.888  -0.128   4.266  1.00  0.00           H  
HETATM   71  H   UNL     1       3.237  -1.986   3.879  1.00  0.00           H  
HETATM   72  H   UNL     1       2.130   0.796   3.296  1.00  0.00           H  
HETATM   73  H   UNL     1       2.595   0.213   4.912  1.00  0.00           H  
HETATM   74  H   UNL     1       0.972  -1.685   4.640  1.00  0.00           H  
HETATM   75  H   UNL     1       0.451  -0.972   3.095  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.199   1.109   4.274  1.00  0.00           H  
HETATM   77  H   UNL     1       0.321   0.396   5.819  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.342  -1.420   5.543  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.863  -0.708   3.997  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.514   1.373   5.176  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.993   0.661   6.722  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.657  -1.156   6.445  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.178  -0.443   4.899  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.829   1.638   6.078  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.308   0.925   7.624  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.972  -0.891   7.347  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.493  -0.179   5.801  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.144   1.902   6.980  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.623   1.190   8.526  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.287  -0.627   8.249  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.808   0.085   6.703  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.320   0.759   8.549  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.937   1.454   9.428  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.459   2.167   7.883  1.00  0.00           H  
CONECT    1    2   18   18                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   48                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   18                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   16                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   49   50   51                                       
CONECT   13   11   11   14   15                                       
CONECT   14   13   52   53   54                                       
CONECT   15   13   16   16   55                                       
CONECT   16    9   15   15   17                                       
CONECT   17   16   18   19                                            
CONECT   18    1    1    7   17                                       
CONECT   19   17   20   56   57                                       
CONECT   20   19   21   22   58                                       
CONECT   21   20   59                                                 
CONECT   22   20   23   24   60                                       
CONECT   23   22   61                                                 
CONECT   24   22   25   26   62                                       
CONECT   25   24   63                                                 
CONECT   26   24   27   64   65                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   66                                                 
CONECT   31   28   67                                                 
CONECT   32   33   33   34   35                                       
CONECT   33   32   32                                                 
CONECT   34   32   68                                                 
CONECT   35   32   36   69   70                                       
CONECT   36   10   35   37   71                                       
CONECT   37   36   38   72   73                                       
CONECT   38   37   39   74   75                                       
CONECT   39   38   40   76   77                                       
CONECT   40   39   41   78   79                                       
CONECT   41   40   42   80   81                                       
CONECT   42   41   43   82   83                                       
CONECT   43   42   44   84   85                                       
CONECT   44   43   45   86   87                                       
CONECT   45   44   46   88   89                                       
CONECT   46   45   47   90   91                                       
CONECT   47   46   92   93   94                                       
CONECT   48    4                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
