REMARK  Name = BDB058089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.025  -0.031   0.199  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -1.000   0.353  -0.959  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1       -2.464   0.194  -0.564  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1       -3.467   0.322  -1.707  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -3.239  -1.015  -1.073  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -2.866   0.769   0.770  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -4.040   1.004   1.031  0.00  0.00    -0.291 OA
ATOM      8  C   LIG    1       -1.771   1.028   1.736  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1       -0.507   0.655   1.467  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        1.430   0.416  -0.115  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        2.572  -0.065   0.555  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        3.829   0.431   0.149  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.929   1.386  -0.852  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.764   1.823  -1.438  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        1.544   1.365  -1.093  0.00  0.00    -0.256 NA
BRANCH  11  16
ATOM     16  C   LIG    1        2.559  -1.110   1.642  0.00  0.00    +0.373 C 
ATOM     17  F   LIG    1        2.471  -2.378   1.158  0.00  0.00    -0.204 F 
ATOM     18  F   LIG    1        1.571  -0.965   2.562  0.00  0.00    -0.204 F 
ENDBRANCH  11  16
ENDBRANCH   1  10
BRANCH   1  20
ATOM     19  C   LIG    1        0.193  -2.328  -0.582  0.00  0.00    +0.195 C 
ATOM     20  O   LIG    1       -0.107  -1.437   0.486  0.00  0.00    -0.366 OA
ENDBRANCH   1  20
BRANCH   8  21
ATOM     21  C   LIG    1       -2.095   1.656   2.971  0.00  0.00    +0.102 C 
ATOM     22  N   LIG    1       -2.293   2.178   3.989  0.00  0.00    -0.191 NA
ENDBRANCH   8  21
TORSDOF 4