REMARK  Name = BDB018346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.003  -5.435   0.546  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.566  -4.107   0.357  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.907  -3.891   0.643  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        2.688  -4.742   1.058  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.397  -2.510   0.420  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.587  -1.543  -0.050  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.177  -1.846  -0.348  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.256  -3.103  -0.125  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.203  -0.205  -0.184  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        3.137   0.053  -1.197  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.707   1.322  -1.326  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.359   2.354  -0.442  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.418   2.094   0.566  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.849   0.825   0.696  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1        3.957   3.731  -0.598  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        4.012   4.428   0.572  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        5.234   3.706  -1.072  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        3.252   4.509  -1.464  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.719  -0.851  -0.862  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.971  -0.549  -0.371  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -2.452   0.461  -1.157  0.00  0.00    -0.271 N 
ATOM     22  N   LIG    1       -1.607   0.819  -2.144  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1       -0.549   0.024  -1.957  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.735   1.136  -1.016  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.630   2.344  -0.133  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -3.812   2.236   1.361  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.862   2.914   0.524  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 5