REMARK  Name = BDB006167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.803  -0.131   0.022  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1        2.458  -0.857  -0.969  0.00  0.00    -0.265 N 
ATOM      3  N   LIG    1        1.642  -1.708  -1.647  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1        0.457  -1.491  -1.093  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -0.876  -2.017  -1.286  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1       -1.673  -1.321  -0.338  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.878  -0.334   0.470  0.00  0.00    +0.147 C 
ATOM      8  O   LIG    1       -1.194  -2.880  -2.088  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.487  -0.531  -0.092  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.226   1.121   0.196  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1       -1.260   2.084   1.225  0.00  0.00    +0.048 A 
ATOM     12 CL   LIG    1       -0.918   1.692   2.875  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -1.577   3.421   0.954  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -1.861   3.817  -0.348  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -2.245   5.461  -0.677  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -1.835   2.893  -1.384  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.521   1.558  -1.116  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   6  18
ATOM     18  C   LIG    1       -3.077  -1.526  -0.138  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.758  -1.014   0.981  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.088  -0.358   1.940  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.134  -1.202   1.154  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.936  -0.560   2.538  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.871  -1.913   0.214  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.223  -2.437  -0.898  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.845  -2.245  -1.069  0.00  0.00    +0.026 A 
ENDBRANCH   6  18
BRANCH   1  27
ATOM     26  C   LIG    1        3.582   0.311   1.776  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        2.412   0.866   0.968  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1        2.757   2.183   0.275  0.00  0.00    +0.014 C 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        3.852  -0.830  -1.364  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.612  -2.054  -0.872  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        6.014  -1.888  -1.079  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.350  -1.288  -0.391  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6