REMARK  Name = BDB010743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.275  -2.322  -0.200  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.130  -1.892  -0.126  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.850  -0.454  -0.250  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.534  -0.026  -0.157  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.198   1.328  -0.271  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        0.148   1.707  -0.174  0.00  0.00    -0.356 N 
ATOM      7  H   LIG    1        0.375   2.693  -0.258  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        1.159   0.795   0.036  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        2.563   1.358   0.102  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1        3.659   0.302  -0.036  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        3.350  -0.917   0.822  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1        2.014  -1.545   0.421  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        0.933  -0.529   0.168  0.00  0.00    -0.001 A 
ATOM     14  C   LIG    1       -2.232   2.252  -0.482  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -3.563   1.829  -0.576  0.00  0.00    +0.023 A 
ATOM     16 CL   LIG    1       -1.889   3.939  -0.633  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -0.479  -1.031   0.067  0.00  0.00    +0.099 A 
ATOM     18  N   LIG    1       -0.740  -2.303   0.172  0.00  0.00    -0.171 NA
ATOM     19  C   LIG    1       -3.875   0.472  -0.461  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -2.040  -2.705   0.075  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -2.211  -3.702   0.163  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0