REMARK  Name = BDB022009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.247  -0.225  -2.271  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.593   0.104  -1.286  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.206   0.179  -1.337  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1        0.547  -0.023  -2.628  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -0.837   0.648  -2.679  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -1.772   0.277  -1.593  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1       -1.068  -0.368  -0.462  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        0.314   0.248  -0.174  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        3.127   0.446  -0.063  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        2.525   0.993   0.530  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.473   0.346   0.346  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.822   0.952   1.558  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        6.135   0.887   2.038  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.123   0.202   1.319  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        6.769  -0.404   0.106  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        5.455  -0.337  -0.372  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1        8.544   0.150   1.822  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.222  -0.958   1.408  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.627   0.146   3.182  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.281   1.217   1.407  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   6  21
ATOM     21  C   LIG    1       -2.870  -0.565  -2.088  0.00  0.00    +0.111 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.074  -0.667  -1.188  0.00  0.00    -0.011 C 
ATOM     23  C   LIG    1       -4.412   0.181  -0.202  0.00  0.00    +0.005 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.599   0.033   0.651  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1       -6.827  -0.422   0.156  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.941  -0.521   0.995  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.839  -0.156   2.336  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.627   0.315   2.837  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.515   0.414   1.997  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5