REMARK  Name = BDB016602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.522  -0.841   1.463  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        0.551  -1.772   1.887  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.741  -0.520   0.864  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.859  -1.262   0.920  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        2.868  -2.776   1.771  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        4.132  -0.862   0.252  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1        5.145  -1.554   0.345  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        4.077   0.322  -0.474  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1        5.266   0.820  -1.141  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        2.985   1.148  -0.505  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        1.924   0.749   0.117  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1       -3.062  -2.061  -0.872  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -2.577  -0.679  -0.796  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -1.157  -0.648  -0.394  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -0.845  -0.427   1.110  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -1.160   0.975   1.672  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -1.760   1.970   0.679  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -3.144   1.607   0.140  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -3.483   0.119   0.037  0.00  0.00    +0.084 C 
ENDBRANCH   1  15
TORSDOF 2