REMARK  Name = BDB021883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.189  -1.865   0.724  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.007  -1.489   1.342  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.343  -0.163   1.205  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.880   0.329   0.463  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.687  -2.300   1.967  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.403   0.534   1.822  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        2.651   1.843   1.379  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.677   2.628   1.938  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1        3.900   4.021   1.418  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1        4.455   2.077   2.964  0.00  0.00    +0.021 A 
ATOM     11 BR   LIG    1        5.864   3.045   3.792  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.210   0.779   3.416  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.187   0.013   2.850  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -2.771   1.047  -1.024  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.897   0.880   0.435  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.758   0.083   1.081  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.219  -0.982   0.120  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.805  -0.392  -1.239  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -1.378   1.010  -1.466  0.00  0.00    +0.086 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.755   2.262  -2.971  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -3.498   2.244  -1.468  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1       -0.466  -3.306   0.675  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.419  -3.799  -0.731  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        0.769  -3.680  -1.391  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        0.586  -4.185  -2.637  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -0.706  -4.629  -2.791  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -1.358  -4.382  -1.559  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5