REMARK  Name = BDB001656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923   0.120  -0.113  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.167   0.150  -1.023  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.773   1.374  -0.809  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1        0.075   2.005   0.193  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -0.948   1.237   0.630  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        0.544  -0.819  -2.039  0.00  0.00    +0.284 C 
ATOM      7  N   LIG    1        1.857  -1.325  -2.150  0.00  0.00    -0.175 N 
ATOM      8  C   LIG    1        2.922  -1.297  -1.255  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1        3.964  -1.874  -1.978  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        5.235  -2.000  -1.399  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        5.423  -1.558  -0.086  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.364  -1.012   0.639  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1        3.522  -2.256  -3.208  0.00  0.00    -0.129 NA
ATOM     14  C   LIG    1        3.090  -0.876   0.074  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1        2.234  -1.963  -3.292  0.00  0.00    -0.057 NA
ATOM     16  O   LIG    1       -0.290  -1.215  -2.848  0.00  0.00    -0.265 OA
ENDBRANCH   2   6
BRANCH   1  20
ATOM     17  C   LIG    1       -3.896  -2.899   0.543  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -4.231  -1.548   0.609  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.252  -0.571   0.392  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -1.927  -0.926   0.102  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -1.596  -2.284   0.049  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -2.576  -3.259   0.266  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -6.113  -3.636   0.977  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.748  -3.951   0.735  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   4  25
ATOM     25  C   LIG    1        0.327   3.282   0.768  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        1.389   4.084   0.326  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        1.614   5.333   0.913  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        0.786   5.788   1.938  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.271   4.997   2.382  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -0.502   3.748   1.801  0.00  0.00    +0.028 A 
ENDBRANCH   4  25
TORSDOF 4