REMARK  Name = BDB017116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.282  -2.705   1.540  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.951  -1.930   0.642  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.989  -1.013   0.070  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.694  -0.011  -0.866  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.703   0.831  -1.371  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.034   0.665  -0.930  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        5.040   1.507  -1.436  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        4.736   2.502  -2.365  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.424   2.667  -2.800  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.310  -0.342   0.006  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        5.565  -0.523   0.445  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        2.414   1.839  -2.307  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.309  -1.170   0.503  0.00  0.00    +0.050 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.483  -1.871   0.128  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -1.252  -0.783   0.890  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -2.640  -0.679   0.403  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -3.347  -1.957   0.605  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.649  -3.105  -0.127  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -1.188  -3.223   0.292  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.372   0.402   1.081  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.886   1.743   0.611  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.917   2.562   1.429  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.352   2.992   1.319  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4