REMARK  Name = BDB012553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.095  -2.213  -1.585  0.00  0.00    +0.148 C 
ATOM      2  N   LIG    1       -2.385  -2.534  -0.371  0.00  0.00    -0.351 N 
ATOM      3  C   LIG    1       -1.259  -1.945   0.098  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.351  -0.861  -0.327  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        0.650  -0.908   0.797  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.309  -1.907   1.762  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        0.879  -2.237   2.787  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.893  -2.527   1.273  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -1.823  -3.526   1.573  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -2.746  -3.512   0.535  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.800  -0.111   0.822  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.192   0.632  -0.233  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.330   1.425  -0.223  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        3.661   2.179  -1.424  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.176   1.513   0.886  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        5.197   2.194   0.910  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        3.743   0.708   2.070  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        4.699   0.785   3.501  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        2.631  -0.039   2.015  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -1.068   0.473  -0.461  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -1.284   1.021  -1.736  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -1.952   2.236  -1.877  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1       -2.135   2.724  -3.113  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -2.421   2.925  -0.762  0.00  0.00    +0.076 A 
ATOM     25 CL   LIG    1       -3.247   4.423  -0.937  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1       -2.224   2.392   0.510  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -1.554   1.172   0.659  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
TORSDOF 2