REMARK  Name = BDB018928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.032   0.046   0.081  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.953  -0.781  -0.262  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.652  -0.405   0.141  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.391   0.763   0.881  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.926   1.114   1.267  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -1.039   2.083   2.371  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.120   3.269   2.117  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.324   2.797   2.085  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.492   1.563   1.236  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.792   1.200   0.839  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.147   0.568   0.799  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -3.174   0.137   1.687  0.00  0.00    +0.147 A 
ATOM     13  F   LIG    1       -2.986   0.222   3.015  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1       -4.384  -0.402   1.243  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -4.554  -0.501  -0.118  0.00  0.00    +0.072 A 
ATOM     16  N   LIG    1       -5.635  -0.988  -0.862  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -5.337  -0.875  -2.238  0.00  0.00    +0.330 A 
ATOM     18  N   LIG    1       -4.045  -0.310  -2.311  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -3.335  -0.008  -3.521  0.00  0.00    +0.154 C 
ATOM     20  O   LIG    1       -6.051  -1.201  -3.173  0.00  0.00    -0.246 OA
ATOM     21  C   LIG    1       -6.853  -1.511  -0.314  0.00  0.00    +0.154 C 
ATOM     22  C   LIG    1       -3.570  -0.083  -1.014  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1       -2.371   0.452  -0.587  0.00  0.00    +0.054 A 
ENDBRANCH   5  11
BRANCH   1  28
ATOM     24  C   LIG    1        7.881  -0.938   0.253  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.543  -0.662  -0.209  0.00  0.00    -0.274 N 
ATOM     26  N   LIG    1        6.296  -0.618  -1.530  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        4.984  -0.376  -1.595  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        4.395  -0.241  -0.319  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.441  -0.422   0.560  0.00  0.00    +0.116 A 
ENDBRANCH   1  28
BRANCH   2  30
ATOM     30  C   LIG    1        2.124  -2.058  -1.046  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        3.112  -2.866  -0.570  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.409  -1.831  -2.359  0.00  0.00    -0.204 F 
ENDBRANCH   2  30
TORSDOF 3