REMARK  Name = BDB003819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.207  -0.375  -0.602  0.00  0.00    +0.408 C 
ATOM      2  N   LIG    1        0.319   0.711  -0.642  0.00  0.00    -0.237 N 
ATOM      3  O   LIG    1        0.989  -1.433  -1.185  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.412   1.859   0.211  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.878   1.744   1.532  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        0.942   2.856   2.378  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        0.535   4.096   1.910  0.00  0.00    +0.124 A 
ATOM      8  F   LIG    1        0.594   5.162   2.718  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        0.066   4.242   0.613  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        0.002   3.128  -0.231  0.00  0.00    +0.026 A 
ENDBRANCH   2   4
BRANCH   1  11
ATOM     11  O   LIG    1        2.348  -0.123   0.091  0.00  0.00    -0.444 OA
BRANCH  11  13
ATOM     12  C   LIG    1        4.003  -1.441  -1.172  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        3.405  -1.111   0.199  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1        2.921  -2.366   0.934  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1        4.485  -0.429   1.054  0.00  0.00    +0.055 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1       -0.807   0.591  -1.581  0.00  0.00    +0.129 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.937  -0.342  -1.079  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -2.929  -0.558  -2.209  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1       -2.901   0.095  -3.252  0.00  0.00    -0.275 OA
ATOM     20  N   LIG    1       -3.886  -1.541  -2.064  0.00  0.00    -0.256 N 
ATOM     21  H   LIG    1       -4.378  -1.744  -2.926  0.00  0.00    +0.157 HD
ATOM     22  C   LIG    1       -4.265  -2.358  -1.023  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1       -4.976  -3.337  -1.249  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -3.779  -2.044   0.373  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -3.836  -0.553   0.671  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -2.608   0.214   0.182  0.00  0.00    +0.015 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5