REMARK  Name = BDB027868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   0.698  -0.260  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.130   1.759  -1.151  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.471   2.050  -1.397  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.713   3.095  -2.278  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.771   3.849  -2.904  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.510   3.550  -2.631  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.482   1.377  -0.827  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.161   0.388   0.021  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.878   2.531  -1.774  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.904   0.025   0.325  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.349  -1.115  -0.699  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1       -3.564  -1.587   0.712  0.00  0.00    -0.303 NA
ATOM     13  H   LIG    1       -4.562  -1.744   0.864  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.065  -0.575   1.662  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -1.589  -0.193   1.409  0.00  0.00    +0.121 C 
ATOM     16  N   LIG    1       -1.440   0.305   0.020  0.00  0.00    -0.312 N 
ATOM     17  C   LIG    1       -1.872  -0.728  -0.961  0.00  0.00    +0.134 C 
BRANCH  11  19
ATOM     18  F   LIG    1       -3.679  -1.560  -3.018  0.00  0.00    -0.169 F 
ATOM     19  C   LIG    1       -3.777  -2.116  -1.788  0.00  0.00    +0.406 C 
ATOM     20  F   LIG    1       -3.023  -3.236  -1.783  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1       -5.070  -2.484  -1.619  0.00  0.00    -0.169 F 
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   8  22
ATOM     22  C   LIG    1        3.262  -0.357   0.660  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        3.015  -1.438   1.520  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        4.082  -2.108   2.098  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        5.373  -1.786   1.886  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.606  -0.748   1.058  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.605  -0.019   0.435  0.00  0.00    +0.031 A 
ENDBRANCH   8  22
TORSDOF 3