REMARK  Name = BDB050061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.102  -0.267  -0.300  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -1.832  -0.156  -0.103  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1       -1.344   1.050  -0.533  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -2.073   2.074  -1.128  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -1.310   3.095  -1.448  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.050   2.729  -1.055  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.462   1.875  -1.300  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -0.025   1.471  -0.475  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -4.015   0.723  -0.901  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.098   0.703   0.064  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        0.978  -0.042   1.243  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.066  -0.758   1.753  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.305  -0.737   1.098  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        3.427   0.006  -0.084  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.337   0.722  -0.591  0.00  0.00    +0.010 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.472  -1.529   1.634  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        4.505  -2.798   1.142  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        4.455  -1.655   2.991  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.679  -0.977   1.328  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -3.075  -2.443   0.623  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1       -3.817  -1.367   0.037  0.00  0.00    -0.479 OA
ENDBRANCH   1  21
TORSDOF 3