REMARK  Name = BDB054141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.883  -2.201  -0.067  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.580  -1.016  -0.009  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.177  -0.562  -0.027  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1        0.064   0.817   0.045  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        1.402   1.244   0.027  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        2.453   0.321  -0.058  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        2.186  -1.046  -0.128  0.00  0.00    +0.002 A 
ATOM      8 CL   LIG    1        1.808   2.923   0.111  0.00  0.00    -0.081 Cl
ATOM      9  N   LIG    1       -0.996   1.748   0.131  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -2.201   1.296   0.143  0.00  0.00    +0.199 A 
ATOM     11  C   LIG    1        0.867  -1.492  -0.113  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1       -2.523  -0.026   0.077  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.487  -0.326   0.090  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0