REMARK  Name = BDB003947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.930  -1.877  -0.677  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.883  -1.284  -0.425  0.00  0.00    +0.222 C 
ATOM      3  C   LIG    1       -2.880   0.134   0.109  0.00  0.00    +0.075 C 
ATOM      4  C   LIG    1       -2.288   0.157   1.516  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1       -0.765   0.291   1.518  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.093  -0.118   0.186  0.00  0.00    +0.072 C 
ATOM      7  C   LIG    1       -0.659   0.759  -0.966  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -0.435  -1.612  -0.070  0.00  0.00    +0.230 C 
ATOM      9  O   LIG    1        0.326  -2.540   0.210  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -2.149   1.079  -0.834  0.00  0.00    +0.014 C 
ATOM     11  N   LIG    1       -1.679  -1.927  -0.574  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -1.792  -2.916  -0.760  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.446   0.070   0.190  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        2.152   0.587   1.291  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.542   0.754   1.247  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.249   0.404   0.102  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        6.125   0.630   0.048  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        3.582  -0.114  -1.001  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.194  -0.279  -0.956  0.00  0.00    +0.006 A 
ENDBRANCH   6  13
TORSDOF 1