REMARK  Name = BDB054132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.734   2.287   0.165  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.517   1.084   0.091  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.152   0.534   0.034  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -0.021  -0.857  -0.049  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.261  -1.405  -0.105  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.388  -0.577  -0.078  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        2.234   0.807   0.005  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1        3.624   1.819   0.037  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1       -1.131  -1.719  -0.078  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -2.302  -1.184  -0.025  0.00  0.00    +0.199 A 
ATOM     11  C   LIG    1        0.965   1.375   0.062  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -2.529   0.159   0.057  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.470   0.523   0.095  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0