REMARK  Name = BDB057229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.825   0.245   0.949  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.895   0.877   1.776  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.524   0.788   1.510  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.053   0.066   0.407  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.992  -0.562  -0.422  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.367  -0.472  -0.154  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.380  -0.007   0.159  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1       -2.313   0.607   0.970  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1       -3.485   0.326   0.442  0.00  0.00    +0.138 A 
ATOM     10  N   LIG    1       -3.350  -0.458  -0.697  0.00  0.00    -0.306 N 
ATOM     11  C   LIG    1       -4.428  -0.904  -1.458  0.00  0.00    +0.093 A 
ATOM     12  C   LIG    1       -5.675  -0.566  -1.086  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -5.857   0.255   0.103  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.807   0.681   0.833  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.006  -0.671  -0.877  0.00  0.00    +0.121 A 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  O   LIG    1        4.127   0.418   1.323  0.00  0.00    -0.492 OA
BRANCH  16  18
ATOM     17  C   LIG    1        5.652   0.497  -0.560  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        5.145  -0.299   0.630  0.00  0.00    +0.225 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3