REMARK  Name = BDB001682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617  -1.187  -1.346  0.00  0.00    +0.201 C 
ENDROOT
BRANCH   1   5
ATOM      2 BR   LIG    1       -1.214   3.487   1.246  0.00  0.00    -0.050 Br
ATOM      3  C   LIG    1       -1.263   1.599   1.178  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.946   0.941  -0.010  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -0.970  -0.461  -0.067  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -1.326  -1.182   1.083  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.645  -0.516   2.268  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.613   0.877   2.317  0.00  0.00    +0.015 A 
ENDBRANCH   1   5
BRANCH   1   9
ATOM      9  N   LIG    1        0.505  -2.134  -1.191  0.00  0.00    -0.179 NA
ATOM     10  N   LIG    1        1.691  -1.745  -1.066  0.00  0.00    -0.112 NA
BRANCH  10  11
ATOM     11  C   LIG    1        2.046  -0.446  -1.187  0.00  0.00    +0.285 A 
ATOM     12  N   LIG    1        2.732   0.175  -0.180  0.00  0.00    -0.222 N 
ATOM     13  H   LIG    1        3.023  -0.196   0.713  0.00  0.00    +0.194 HD
ATOM     14  N   LIG    1        2.989   1.450  -0.501  0.00  0.00    -0.045 NA
ATOM     15  N   LIG    1        2.471   1.607  -1.710  0.00  0.00    -0.021 NA
ATOM     16  N   LIG    1        1.889   0.442  -2.151  0.00  0.00    -0.086 NA
ENDBRANCH  10  11
ENDBRANCH   1   9
TORSDOF 3