REMARK  Name = BDB003997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.729  -0.392  -0.143  0.00  0.00    +0.317 C 
ATOM      2  O   LIG    1       -2.382  -1.547   0.615  0.00  0.00    -0.378 OA
ATOM      3  N   LIG    1       -0.976  -1.575   0.762  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1       -0.478  -0.729  -0.085  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1       -1.493  -0.059  -0.945  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.977  -0.437  -0.148  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.672   0.007  -1.281  0.00  0.00    +0.050 A 
ATOM      8 CL   LIG    1        0.961   0.209  -2.841  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.048   0.272  -1.197  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.738   0.094   0.002  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.059  -0.358   1.127  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.690  -0.624   1.052  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  O   LIG    1       -3.348   0.785   1.938  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -3.194   0.766   0.729  0.00  0.00    +0.349 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.497   1.869   0.005  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -3.808   2.507   0.683  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 3