REMARK  Name = BDB042806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.082  -2.491  -0.216  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.038  -1.862  -0.087  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.752  -2.551   0.083  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.594  -1.786   0.191  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.342  -2.383   0.371  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.827  -1.628   0.565  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.652  -2.184   0.344  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.824  -0.308  -0.096  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1       -0.442   0.501   0.314  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.295  -3.776   0.504  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.457  -4.538   0.383  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -1.379  -5.870   0.492  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.722  -0.324   0.151  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -2.873   0.277   0.049  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.689  -3.941   0.166  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.992  -0.489  -0.080  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.870   0.009  -0.187  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.535   1.866  -0.372  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -0.739   2.046  -1.754  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.928   0.725  -2.853  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -0.800   3.333  -2.303  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.666   4.456  -1.490  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.475   4.298  -0.123  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.414   3.019   0.432  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        2.131   0.448   0.230  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        2.426   0.672   1.705  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1        3.835   0.946   1.796  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        4.455   0.573   0.557  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        3.422  -0.207  -0.231  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2