REMARK  Name = BDB062549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.379  -2.368   0.159  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.597  -1.131   0.062  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.966  -0.597   0.094  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1       -1.882   0.793  -0.035  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -3.106   1.515  -0.028  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.271   0.847   0.100  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.314  -0.605   0.231  0.00  0.00    +0.020 A 
ATOM      8  N   LIG    1       -0.607   1.172  -0.142  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1       -3.162  -1.296   0.226  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.175  -0.022  -0.082  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.629   0.005  -0.169  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        2.273   1.246  -0.316  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.667   1.333  -0.405  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.433   0.174  -0.347  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1        6.316   0.284  -0.466  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        3.818  -1.066  -0.201  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        2.423  -1.149  -0.112  0.00  0.00    +0.013 A 
ENDBRANCH  10  11
TORSDOF 1