REMARK  Name = BDB052503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.688   1.300   2.824  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -1.645   1.408   1.807  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -2.799   2.170   1.928  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -3.558   2.115   0.794  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -2.904   1.337  -0.038  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -3.111   2.879   3.034  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.189   2.795   4.018  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.735   0.904   0.536  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -1.044   0.327   0.087  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -1.008   2.057   3.968  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        0.138   2.090   5.484  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   5  12
ATOM     12  N   LIG    1       -3.251   0.988  -1.302  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1       -2.639  -0.143  -2.007  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -3.257  -0.344  -3.409  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1       -4.718  -0.530  -3.424  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1       -4.944  -1.512  -3.264  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -5.375   0.267  -2.364  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -4.550   1.455  -1.822  0.00  0.00    +0.123 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        2.411  -1.004   1.045  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        1.749  -1.510   2.273  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        0.357  -0.891   2.510  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        0.486   0.557   2.726  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        1.612   1.229   2.049  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.096   0.430   0.816  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1        3.866  -1.242   1.139  0.00  0.00    +0.143 C 
BRANCH  25  30
ATOM     26  C   LIG    1        5.418  -1.607  -3.724  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        5.132  -1.330  -2.306  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        5.866  -0.343  -1.726  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1        5.485  -0.202  -0.403  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1        4.518  -1.108  -0.203  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1        4.263  -1.850  -1.381  0.00  0.00    +0.072 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4