REMARK  Name = BDB021972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.752   0.732  -0.085  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.886   1.022   0.873  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        0.557   0.415  -0.404  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        1.431   1.202   0.315  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.015   2.010   0.751  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        0.849  -0.439  -1.230  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.726  -1.242   0.399  0.00  0.00    +0.104 C 
ATOM      8  N   LIG    1       -4.324  -0.988   0.725  0.00  0.00    -0.305 NA
ATOM      9  C   LIG    1       -3.981   0.436   0.622  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1       -3.161   0.786  -0.616  0.00  0.00    +0.037 C 
ATOM     11  C   LIG    1       -1.857  -0.021  -0.676  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -1.996  -1.397  -0.009  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -3.443  -1.876  -0.046  0.00  0.00    +0.086 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        2.837   1.125   0.335  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        3.567   0.091  -0.255  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.973   0.068  -0.188  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.641   1.106   0.476  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.920   2.137   1.074  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.525   2.143   1.006  0.00  0.00    +0.023 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.740  -1.049  -0.851  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        5.176  -2.273  -0.659  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        7.021  -1.161  -0.398  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.838  -0.885  -2.199  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH   4  14
TORSDOF 3