REMARK  Name = BDB009275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.335   1.938  -2.333  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.507   1.135  -1.919  0.00  0.00    +0.274 A 
ATOM      3  C   LIG    1        2.495   0.720  -0.515  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.546  -0.187  -0.091  0.00  0.00    +0.099 A 
ATOM      5  N   LIG    1        1.454  -0.649   1.183  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.357  -0.161   2.064  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        3.344   0.756   1.731  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.575  -0.685  -1.086  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        0.588  -0.316  -2.337  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1        3.415   1.205   0.414  0.00  0.00    +0.017 A 
ATOM     11  N   LIG    1        1.548   0.571  -2.727  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        1.537   0.849  -3.705  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.499  -1.656  -0.629  0.00  0.00    +0.094 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.729  -0.942  -0.117  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1       -1.954  -0.811   1.262  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -3.081  -0.132   1.729  0.00  0.00    +0.053 A 
ATOM     17 BR   LIG    1       -3.360   0.035   3.592  0.00  0.00    -0.047 Br
ATOM     18  C   LIG    1       -3.984   0.418   0.824  0.00  0.00    +0.137 A 
ATOM     19  F   LIG    1       -5.073   1.075   1.251  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1       -3.772   0.300  -0.546  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -2.646  -0.376  -1.017  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 2