COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.407   0.336  -1.011  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.683  -1.585  -1.461  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.755  -0.365  -1.071  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.720   0.960  -0.789  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.056   0.898  -0.094  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.150   0.357  -0.745  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.375   0.302  -0.108  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.188   1.378   1.196  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.503  -1.969   1.056  1.00  0.00           O  
HETATM   10  P   UNL     1      -0.425  -1.042  -0.258  1.00  0.00           P  
HETATM   11  N   UNL     1       1.105  -1.174  -0.948  1.00  0.00           N  
HETATM   12  C   UNL     1       2.152  -0.853   0.031  1.00  0.00           C  
HETATM   13  C   UNL     1       2.664  -2.144   0.672  1.00  0.00           C  
HETATM   14  C   UNL     1       3.650  -1.802   1.790  1.00  0.00           C  
HETATM   15  C   UNL     1       2.907  -1.102   2.929  1.00  0.00           C  
HETATM   16  C   UNL     1       4.292  -3.088   2.315  1.00  0.00           C  
HETATM   17  C   UNL     1       3.291  -0.152  -0.664  1.00  0.00           C  
HETATM   18  N   UNL     1       4.234   0.483   0.060  1.00  0.00           N  
HETATM   19  CA  UNL     1       5.280   1.255  -0.616  1.00  0.00           C  
HETATM   20  OXT UNL     1       7.482   0.827  -1.648  1.00  0.00           O  
HETATM   21  O   UNL     1       6.346  -0.842  -0.750  1.00  0.00           O  
HETATM   22  O   UNL     1       3.359  -0.158  -1.875  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.677   0.367   0.117  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.014  -1.470  -0.861  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.979  -0.259  -0.520  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.508   0.786   1.179  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.413   1.321   1.833  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.319   0.537  -1.759  1.00  0.00           O  
HETATM   29  C   UNL     1       5.810   2.334   0.331  1.00  0.00           C  
HETATM   30  C   UNL     1       4.696   3.339   0.633  1.00  0.00           C  
HETATM   31  N   UNL     1       5.205   4.374   1.543  1.00  0.00           N  
HETATM   32  H   UNL     1      -1.630  -0.957  -2.351  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.497  -2.623  -1.737  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.874   1.062  -1.863  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.158   1.816  -0.419  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.046  -0.021  -1.751  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.229  -0.120  -0.617  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.333   1.796   1.706  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.424  -2.916   0.874  1.00  0.00           H  
HETATM   40  H   UNL     1       1.246  -2.092  -1.341  1.00  0.00           H  
HETATM   41  H   UNL     1       1.742  -0.202   0.802  1.00  0.00           H  
HETATM   42  H   UNL     1       1.824  -2.702   1.086  1.00  0.00           H  
HETATM   43  H   UNL     1       3.166  -2.750  -0.083  1.00  0.00           H  
HETATM   44  H   UNL     1       4.426  -1.142   1.402  1.00  0.00           H  
HETATM   45  H   UNL     1       3.620  -0.792   3.693  1.00  0.00           H  
HETATM   46  H   UNL     1       2.388  -0.226   2.540  1.00  0.00           H  
HETATM   47  H   UNL     1       2.182  -1.788   3.367  1.00  0.00           H  
HETATM   48  H   UNL     1       4.822  -3.587   1.504  1.00  0.00           H  
HETATM   49  H   UNL     1       4.995  -2.845   3.112  1.00  0.00           H  
HETATM   50  H   UNL     1       3.517  -3.749   2.704  1.00  0.00           H  
HETATM   51  H   UNL     1       4.221   0.428   1.028  1.00  0.00           H  
HETATM   52  HA  UNL     1       4.866   1.726  -1.508  1.00  0.00           H  
HETATM   53  HXT UNL     1       8.179   0.199  -1.881  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.362  -2.191  -0.312  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.465   0.743   1.677  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.517   1.699   2.839  1.00  0.00           H  
HETATM   57  H   UNL     1       6.143   1.870   1.260  1.00  0.00           H  
HETATM   58  H   UNL     1       6.647   2.850  -0.138  1.00  0.00           H  
HETATM   59  H   UNL     1       4.363   3.802  -0.295  1.00  0.00           H  
HETATM   60  H   UNL     1       3.859   2.822   1.103  1.00  0.00           H  
HETATM   61  H   UNL     1       4.487   5.050   1.758  1.00  0.00           H  
HETATM   62  H   UNL     1       5.579   3.964   2.385  1.00  0.00           H  
CONECT    1   21   21   20   19                                       
CONECT    2   24   10   32   33                                       
CONECT    3   25   28   28   24                                       
CONECT    4    5   25   34   35                                       
CONECT    5    6    4    8    8                                       
CONECT    6    7    7    5   36                                       
CONECT    7    6    6   26   37                                       
CONECT    8    5    5   27   38                                       
CONECT    9   10   39                                                 
CONECT   10    2   23   23    9                                       
CONECT   10   11                                                      
CONECT   11   10   12   40                                            
CONECT   12   11   17   13   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   16   15   44                                       
CONECT   15   14   45   46   47                                       
CONECT   16   14   48   49   50                                       
CONECT   17   18   22   22   12                                       
CONECT   18   19   17   51                                            
CONECT   19    1   18   29   52                                       
CONECT   20    1   53                                                 
CONECT   21    1    1                                                 
CONECT   22   17   17                                                 
CONECT   23   10   10                                                 
CONECT   24    3    2   54                                            
CONECT   25    4    3                                                 
CONECT   26    7   27   27   55                                       
CONECT   27   26   26    8   56                                       
CONECT   28    3    3                                                 
CONECT   29   19   30   57   58                                       
CONECT   30   29   31   59   60                                       
CONECT   31   30   61   62                                            
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
