REMARK  Name = BDB003815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.950   1.477   0.918  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.921   0.805   0.909  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1       -1.700   1.417   0.835  0.00  0.00    -0.254 N 
ATOM      4  H   LIG    1       -1.892   2.413   0.895  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.947   1.277  -0.302  0.00  0.00    +0.253 C 
ATOM      6  O   LIG    1       -0.730   2.270  -1.001  0.00  0.00    -0.272 OA
ATOM      7  C   LIG    1       -0.370  -0.119  -0.653  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1       -0.892  -1.269  -0.003  0.00  0.00    -0.362 OA
ATOM      9  C   LIG    1       -2.303  -1.387  -0.120  0.00  0.00    +0.170 C 
ATOM     10  C   LIG    1       -2.950  -0.692   1.054  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.138  -0.114  -0.435  0.00  0.00    -0.009 A 
ATOM     12  C   LIG    1        2.000   0.273  -1.475  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.380   0.305  -1.269  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1        4.526   0.823  -2.681  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        3.921  -0.039  -0.033  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.075  -0.415   1.009  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.693  -0.449   0.811  0.00  0.00    +0.007 A 
ENDBRANCH   7  11
TORSDOF 1