REMARK  Name = BDB035999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.755   1.019   0.675  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.418   0.630   0.414  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.596   0.700   1.384  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.246   1.184   2.646  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.065   1.574   2.932  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.058   1.490   1.958  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.922   0.287   1.077  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.020   0.299   1.944  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        3.120   0.641   3.109  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.169  -0.212   1.188  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.474  -0.387   1.611  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.387  -0.897   0.689  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.979  -1.216  -0.620  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.648  -1.030  -1.038  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.751  -0.522  -0.102  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.292  -0.222  -0.238  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.201  -1.376  -2.433  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        3.297  -2.392  -2.446  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.216  -1.761  -3.254  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        3.593  -0.327  -3.053  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.801   0.886  -0.440  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.200   1.473  -0.160  0.00  0.00    +0.179 C 
ATOM     23  O   LIG    1       -4.781   1.875  -1.413  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1       -3.727   1.956  -2.380  0.00  0.00    +0.161 C 
ATOM     25  C   LIG    1       -2.423   1.799  -1.622  0.00  0.00    +0.049 C 
BRANCH  21  28
ATOM     26  C   LIG    1       -3.969  -1.677   1.117  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1       -3.393  -1.635  -0.199  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1       -2.893  -0.565  -0.905  0.00  0.00    +0.146 A 
ATOM     29  N   LIG    1       -2.429  -1.023  -2.057  0.00  0.00    -0.134 NA
ATOM     30  N   LIG    1       -2.647  -2.373  -2.117  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1       -3.228  -2.728  -0.998  0.00  0.00    +0.224 A 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 4