REMARK  Name = BDB056260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.268   2.142  -1.538  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.171   1.887  -2.371  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.125   2.101  -1.895  0.00  0.00    +0.031 A 
ATOM      4 BR   LIG    1        2.570   1.756  -3.074  0.00  0.00    -0.049 Br
ATOM      5  C   LIG    1        1.312   2.568  -0.588  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.211   2.866   0.228  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.082   2.655  -0.250  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -2.920   2.540  -3.109  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.630   1.938  -2.079  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1       -3.500   1.078  -1.403  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -3.021   0.040  -0.489  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.111  -0.935  -0.045  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -5.389  -0.162   0.312  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1       -5.893   0.600  -0.935  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -4.816   0.865  -1.986  0.00  0.00    +0.109 C 
BRANCH  13  16
ATOM     16  N   LIG    1       -6.452  -1.025   0.865  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -6.052  -1.771   2.063  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -7.370  -2.221   2.681  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -8.425  -1.297   2.093  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -7.644  -0.275   1.285  0.00  0.00    +0.085 C 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   5  21
ATOM     21  C   LIG    1        2.652   2.823  -0.030  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1        3.428   1.740   0.374  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1        4.736   2.035   0.945  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.585   0.788   1.193  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        5.412  -0.206   0.033  0.00  0.00    +0.060 C 
ATOM     26  C   LIG    1        3.930  -0.645  -0.049  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        2.950   0.373   0.532  0.00  0.00    +0.109 C 
ATOM     28  O   LIG    1        3.008   3.994   0.071  0.00  0.00    -0.270 OA
BRANCH  25  29
ATOM     29  N   LIG    1        6.293  -1.388   0.145  0.00  0.00    -0.299 NA
ATOM     30  C   LIG    1        6.197  -2.287  -1.013  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1        7.394  -3.205  -0.837  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        8.428  -2.364  -0.103  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        7.721  -1.056   0.226  0.00  0.00    +0.085 C 
ENDBRANCH  25  29
ENDBRANCH   5  21
TORSDOF 4