REMARK  Name = BDB047892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.608  -2.994  -0.796  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.304  -1.857  -0.458  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -2.304  -0.795  -0.279  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.835   0.461   0.109  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.762   1.490   0.287  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.126   1.265   0.079  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.578   0.003  -0.309  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.474   0.727   0.327  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.387  -0.230   0.163  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -3.665  -1.035  -0.490  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -0.002  -1.496  -0.220  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        0.653  -2.248  -0.352  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.847   0.025   0.388  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.241   1.316   0.778  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.586   1.621   1.005  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        4.552   0.633   0.843  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        6.372   1.038   1.147  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        4.183  -0.653   0.457  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        2.835  -0.959   0.230  0.00  0.00    +0.012 A 
ENDBRANCH   9  13
TORSDOF 1