REMARK  Name = BDB003859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.439  -0.694  -0.426  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.205  -0.079  -0.195  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.018  -0.728  -0.486  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        0.032  -2.030  -1.011  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1       -1.383  -2.949  -1.380  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        1.263  -2.647  -1.250  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        2.457  -1.983  -0.963  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.312   0.037  -0.194  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -2.205   0.159  -1.437  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1       -1.753   0.304  -2.573  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1       -3.569   0.149  -1.257  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -4.057   0.095  -2.144  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -4.282   0.953  -0.403  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.414   1.319  -0.719  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.612   1.468   0.847  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -2.986   0.392   1.722  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -2.039  -0.580   1.013  0.00  0.00    +0.018 C 
ENDBRANCH   3   8
BRANCH   1  20
ATOM     18  C   LIG    1        5.386   1.462   0.530  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1        3.915   1.144   0.426  0.00  0.00    +0.214 C 
ATOM     20  N   LIG    1        3.684  -0.090  -0.156  0.00  0.00    -0.286 N 
ATOM     21  H   LIG    1        4.502  -0.635  -0.401  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.073   1.923   0.859  0.00  0.00    -0.276 OA
ENDBRANCH   1  20
TORSDOF 2