REMARK  Name = BDB008467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.372   1.492  -0.889  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -0.429   2.350  -0.131  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        0.808   1.594   0.198  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.266   0.489  -0.482  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.542  -0.021  -1.605  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        0.865  -1.075  -2.284  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        1.926  -1.907  -2.076  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        1.952  -2.670  -2.750  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        3.004  -1.981  -1.215  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1        3.276  -1.036  -0.120  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.399  -1.208   0.708  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.647  -0.325   1.752  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        3.807   0.754   2.027  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        2.694   0.914   1.197  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1        5.725  -0.516   2.525  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1        3.797  -2.916  -1.372  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.431   0.041   0.135  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1        1.685   1.859   1.213  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        1.612   2.615   1.882  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.683   0.815  -2.031  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1       -2.086   0.552  -0.004  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.332  -0.053  -0.667  0.00  0.00    +0.015 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.755  -0.301   1.443  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -4.107  -0.999   0.257  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 3