REMARK  Name = BDB060302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -1.508   2.177  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.572  -0.906   1.139  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1       -1.941  -0.996   0.830  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -2.617  -1.796   1.482  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.292  -0.212   0.348  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1        1.481  -0.445   0.937  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.399  -1.240   2.059  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.627  -0.225  -0.244  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.715  -0.822  -0.899  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.403  -0.131  -1.900  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -4.012   1.162  -2.240  0.00  0.00    +0.018 A 
ATOM     12 BR   LIG    1       -4.941   2.099  -3.592  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1       -2.945   1.773  -1.583  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -2.255   1.083  -0.581  0.00  0.00    +0.014 A 
ENDBRANCH   3   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.758   0.091   0.437  0.00  0.00    +0.110 A 
ATOM     16  N   LIG    1        3.876  -0.204   1.152  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        5.052   0.284   0.702  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.179   1.059  -0.437  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.031   1.354  -1.162  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.803   0.866  -0.722  0.00  0.00    +0.031 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     21  N   LIG    1       -0.447  -2.245   3.150  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        0.166  -2.855   3.682  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.385  -2.619   2.998  0.00  0.00    +0.145 HD
ENDBRANCH   1  21
TORSDOF 3