REMARK  Name = BDB017212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.149  -3.487   0.069  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.904  -2.294  -0.131  0.00  0.00    +0.170 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.068  -1.361  -0.280  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.953   0.014  -0.504  0.00  0.00    +0.142 A 
ATOM      5  F   LIG    1       -0.745   0.595  -0.594  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -3.087   0.840  -0.635  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -4.374   0.265  -0.535  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -5.508   1.083  -0.666  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.377   2.455  -0.889  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.111   3.026  -0.988  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.493  -1.112  -0.310  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -2.974   2.225  -0.863  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.355  -1.914  -0.183  0.00  0.00    +0.015 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1        0.534  -1.781  -0.207  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1        0.927  -1.146   1.133  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1        2.260  -0.517   1.125  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1        3.200  -1.163   0.191  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1        2.925  -2.655   0.025  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1        1.533  -2.904  -0.563  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1        2.175   0.932   0.902  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.485   1.593   1.227  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1        4.468   1.961   0.142  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        3.703   3.040   0.856  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4