REMARK  Name = BDB003949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.131   0.826  -1.529  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -2.989   0.652  -1.117  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -2.382  -0.732  -0.857  0.00  0.00    +0.206 C 
ATOM      4  O   LIG    1       -0.978  -0.664  -1.148  0.00  0.00    -0.347 OA
ATOM      5  C   LIG    1       -0.424   0.102  -0.049  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -1.138  -0.495   1.176  0.00  0.00    +0.052 C 
ATOM      7  C   LIG    1       -0.899   1.576  -0.247  0.00  0.00    +0.256 C 
ATOM      8  O   LIG    1       -0.269   2.575   0.093  0.00  0.00    -0.272 OA
ATOM      9  C   LIG    1       -2.436  -1.069   0.621  0.00  0.00    +0.045 C 
ATOM     10  N   LIG    1       -2.171   1.705  -0.774  0.00  0.00    -0.252 N 
ATOM     11  H   LIG    1       -2.525   2.640  -0.910  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.089  -0.029   0.004  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        1.808   0.420   1.128  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.200   0.307   1.185  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.892  -0.253   0.116  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        5.774  -0.407   0.191  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.206  -0.697  -1.011  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        1.814  -0.582  -1.066  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
TORSDOF 1