REMARK  Name = BDB062558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.547  -0.284  -2.384  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.658  -0.085  -1.146  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.972   0.159  -0.534  0.00  0.00    -0.203 N 
ATOM      4  C   LIG    1       -1.774   0.342   0.838  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -2.927   0.594   1.627  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.138   0.645   1.035  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.303   0.448  -0.404  0.00  0.00    +0.036 A 
ATOM      8 BR   LIG    1       -6.018   0.538  -1.120  0.00  0.00    -0.049 Br
ATOM      9  N   LIG    1       -0.478   0.237   1.136  0.00  0.00    -0.205 NA
ATOM     10  C   LIG    1       -3.215   0.209  -1.155  0.00  0.00    +0.131 A 
ATOM     11  C   LIG    1        0.200  -0.026  -0.094  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.645  -0.202  -0.155  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.387  -0.110   1.035  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.777  -0.270   1.037  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.441  -0.526  -0.158  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        6.318  -0.744  -0.164  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.728  -0.623  -1.349  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.336  -0.461  -1.347  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1