REMARK  Name = BDB059639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.321   0.314   1.076  0.00  0.00    +0.114 A 
ATOM      2  C   LIG    1       -2.170   0.283   0.327  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1       -2.536   0.580  -0.975  0.00  0.00    -0.178 N 
ATOM      4  C   LIG    1       -1.652   0.653  -2.067  0.00  0.00    +0.289 A 
ATOM      5  C   LIG    1       -0.217   0.374  -1.713  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.086   0.089  -0.424  0.00  0.00    +0.067 A 
ATOM      7 BR   LIG    1        1.020   0.453  -3.118  0.00  0.00    -0.042 Br
ATOM      8  O   LIG    1       -2.063   0.923  -3.189  0.00  0.00    -0.265 OA
ATOM      9  N   LIG    1       -3.877   0.799  -1.085  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -0.866   0.042   0.584  0.00  0.00    -0.337 N 
ATOM     11  H   LIG    1       -0.514  -0.184   1.517  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -4.337   0.635   0.159  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.465  -0.197   0.012  0.00  0.00    -0.000 A 
ATOM     14  C   LIG    1        2.296   0.842   0.449  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.597   0.568   0.874  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.072  -0.743   0.866  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.249  -1.782   0.435  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.947  -1.512   0.011  0.00  0.00    +0.010 A 
ENDBRANCH   6  13
BRANCH   1  20
ATOM     19  N   LIG    1       -3.540  -0.126   3.610  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1       -3.449   0.073   2.470  0.00  0.00    +0.104 C 
ENDBRANCH   1  20
TORSDOF 2