REMARK  Name = BDB051265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.126  -2.311  -1.097  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.151  -1.660  -0.739  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.308  -0.386   0.027  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.184   0.349   0.430  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.317   1.540   1.147  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.596   2.000   1.464  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.725   1.276   1.067  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.928  -0.167   0.081  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.779  -1.335  -0.622  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.569  -1.522  -0.778  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.182  -0.407  -0.131  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.247   0.411   0.389  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.584   0.084   0.350  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.865  -2.075  -1.029  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.755  -2.937  -1.548  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.615  -0.107   0.002  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.037   1.048   0.679  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.396   1.338   0.808  0.00  0.00    +0.019 A 
ATOM     19 BR   LIG    1        4.940   2.900   1.725  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        5.356   0.487   0.268  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.953  -0.663  -0.406  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.592  -0.959  -0.539  0.00  0.00    +0.010 A 
ENDBRANCH  11  16
TORSDOF 1