REMARK  Name = BDB031228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.257   1.291   0.630  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -4.148   0.857   0.379  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1       -2.922   1.409   0.777  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -2.840   2.247   1.329  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -1.893   0.613   0.286  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.466  -0.441  -0.420  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -1.709  -1.409  -1.030  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.318  -1.288  -0.906  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.289  -0.217  -0.188  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -0.531   0.754   0.420  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1       -3.847  -0.293  -0.366  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -4.545  -0.891  -0.778  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.754  -0.128  -0.085  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.439   1.026  -0.481  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        3.818   1.051  -0.360  0.00  0.00    +0.130 A 
ATOM     16 CL   LIG    1        4.715   2.435  -0.832  0.00  0.00    -0.062 Cl
ATOM     17  N   LIG    1        4.562   0.036   0.119  0.00  0.00    -0.244 NA
ATOM     18  C   LIG    1        3.890  -1.067   0.498  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        2.511  -1.196   0.415  0.00  0.00    +0.028 A 
ENDBRANCH   9  13
TORSDOF 1