REMARK  Name = BDB028867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.021   3.998  -0.839  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.347   2.667  -0.872  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.795   1.961  -0.621  0.00  0.00    -0.183 N 
ATOM      4  C   LIG    1       -0.785   0.559  -0.567  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.346  -0.056  -0.765  0.00  0.00    -0.161 NA
ATOM      6  C   LIG    1        1.463   0.710  -1.023  0.00  0.00    +0.323 A 
ATOM      7  N   LIG    1       -1.891   2.722  -0.403  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.516   2.007  -1.085  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1       -1.412   3.963  -0.546  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.926   6.078   0.189  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.856   5.194  -1.058  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.405   6.011  -2.270  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1       -1.977  -0.085  -0.306  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -2.702   0.534   0.069  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.024  -1.414   0.277  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.484  -1.908   0.361  0.00  0.00    +0.073 C 
ATOM     17  N   LIG    1       -4.351  -0.972   1.135  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -5.375  -0.372   0.274  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -4.976  -1.751   2.218  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -4.913  -3.199   1.773  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -3.575  -3.260   1.070  0.00  0.00    +0.021 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  O   LIG    1        2.611   0.017  -1.226  0.00  0.00    -0.459 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.625  -1.430  -1.164  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1        3.856  -1.913  -1.942  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1        5.035  -2.151  -1.002  0.00  0.00    +0.087 C 
ATOM     26  N   LIG    1        4.746  -3.218  -0.031  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1        5.709  -3.183   1.067  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        3.359  -3.219   0.453  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1        2.660  -1.874   0.302  0.00  0.00    +0.060 C 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6