REMARK  Name = BDB027905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.484   0.631   0.951  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.586   0.763   1.963  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -5.594  -0.652  -0.505  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -4.400  -0.531  -0.247  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -3.945  -0.607   1.044  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -4.660  -0.683   1.756  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -2.680  -0.319   1.495  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -2.454  -0.190   2.699  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -1.581  -0.193   0.422  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -2.183   0.478  -0.811  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -3.355  -0.346  -1.320  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        0.845   0.372   0.608  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.854   0.936   1.401  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.209   0.781   1.087  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        3.594   0.068  -0.054  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        2.592  -0.457  -0.879  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        1.238  -0.295  -0.556  0.00  0.00    +0.023 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.050  -0.085  -0.415  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        5.314  -1.242  -1.084  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.875  -0.087   0.669  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.493   0.920  -1.220  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   1  12
TORSDOF 3