REMARK  Name = BDB051172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.177  -0.133   2.686  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -0.091  -0.116   1.459  0.00  0.00    +0.188 C 
ATOM      3  C   LIG    1        1.238  -0.125   0.770  0.00  0.00    +0.014 C 
ATOM      4  C   LIG    1        2.327  -0.025   1.558  0.00  0.00    +0.017 C 
ATOM      5  C   LIG    1        1.252  -0.234  -0.722  0.00  0.00    +0.120 C 
ATOM      6  N   LIG    1        0.112   0.441  -1.334  0.00  0.00    -0.308 NA
ATOM      7  H   LIG    1        0.181   0.352  -2.347  0.00  0.00    +0.123 HD
ATOM      8  C   LIG    1       -1.123  -0.197  -0.887  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.312  -0.085   0.592  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -2.497   0.050   1.221  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        3.710  -0.018   1.065  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1        4.438  -1.186   0.789  0.00  0.00    +0.025 A 
ATOM     13 BR   LIG    1        3.702  -2.920   1.043  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        5.751  -1.104   0.312  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        6.345   0.141   0.108  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.631   1.306   0.381  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.321   1.227   0.857  0.00  0.00    +0.009 A 
ENDBRANCH   4  11
BRANCH  10  18
ATOM     18  C   LIG    1       -3.797   0.099   0.542  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -4.516  -1.047   0.165  0.00  0.00    +0.025 A 
ATOM     20 BR   LIG    1       -3.876  -2.802   0.515  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -5.746  -0.925  -0.490  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -6.268   0.338  -0.771  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.563   1.480  -0.400  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.335   1.362   0.254  0.00  0.00    +0.009 A 
ENDBRANCH  10  18
TORSDOF 2