REMARK  Name = BDB046852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.561   1.570   2.008  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -4.895  -2.512   2.025  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -4.675  -1.469   1.424  0.00  0.00    +0.262 A 
ATOM      4  C   LIG    1       -5.298  -1.125   0.136  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1       -4.959   0.107  -0.431  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -5.531   0.469  -1.656  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -6.427  -0.384  -2.305  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -6.757  -1.609  -1.729  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.064   1.003   0.178  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -3.540   0.659   1.309  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1       -6.191  -1.977  -0.510  0.00  0.00    +0.138 A 
ATOM     12  F   LIG    1       -6.532  -3.162   0.012  0.00  0.00    -0.205 F 
ATOM     13  N   LIG    1       -3.812  -0.528   1.931  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.380  -0.768   2.812  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  C   LIG    1       -1.126   1.048   1.928  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.576   1.074   0.493  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.779   0.507   0.401  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.155   0.309  -1.010  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        2.498  -0.433  -1.138  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        3.551   0.127  -0.217  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        3.204   0.961   0.780  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        1.782   1.350   1.075  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.961  -0.233  -0.448  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        5.559  -0.039  -1.700  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.895  -0.389  -1.913  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.647  -0.939  -0.877  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.065  -1.139   0.373  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.730  -0.788   0.586  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5