REMARK  Name = BDB051281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.072  -2.542  -0.722  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.111  -1.825  -0.467  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.294  -0.458   0.109  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.186   0.352   0.396  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.344   1.631   0.935  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.632   2.103   1.189  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.745   1.305   0.907  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.919  -0.181   0.117  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.746  -1.434  -0.411  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.606  -1.613  -0.546  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.195  -0.403  -0.070  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.243   0.461   0.332  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.580   0.026   0.368  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.816  -2.248  -0.702  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.688  -3.174  -1.092  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.620  -0.055   0.010  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.017   1.194   0.511  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        4.366   1.523   0.588  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        4.727   2.720   1.069  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        5.347   0.632   0.173  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.973  -0.611  -0.327  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.617  -0.953  -0.408  0.00  0.00    +0.010 A 
ENDBRANCH  11  16
TORSDOF 1