REMARK  Name = BDB063114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.024   0.600  -0.375  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.304  -0.290   0.433  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.949  -0.441   0.187  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.927  -1.281   0.801  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1        0.380  -1.082   0.015  0.00  0.00    +0.139 C 
ATOM      6  N   LIG    1        0.091   0.037  -0.925  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1        0.398  -0.127  -1.882  0.00  0.00    +0.147 HD
ATOM      8  N   LIG    1       -0.988  -2.104   1.803  0.00  0.00    -0.090 NA
ATOM      9  C   LIG    1       -1.301   0.247  -0.838  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.003   1.139  -1.632  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.372   1.311  -1.402  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.547  -0.791   0.971  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        2.557   0.264   0.571  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        3.822  -0.310   0.457  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        4.941   0.433   0.126  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.778   1.803  -0.085  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.509   2.395   0.045  0.00  0.00    +0.001 A 
ATOM     18 BR   LIG    1        6.647  -0.356  -0.035  0.00  0.00    -0.048 Br
ATOM     19  N   LIG    1        3.739  -1.667   0.731  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        4.516  -2.312   0.714  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.389   1.626   0.382  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.440  -2.050   1.031  0.00  0.00    +0.227 C 
ATOM     23  O   LIG    1        2.094  -3.193   1.281  0.00  0.00    -0.275 OA
ENDBRANCH   5  12
BRANCH   1  25
ATOM     24  O   LIG    1       -6.169   1.583  -0.845  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -5.477   0.829  -0.187  0.00  0.00    +0.337 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.995   0.101   0.817  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -6.944   0.348   0.827  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
BRANCH   8  28
ATOM     28  O   LIG    1       -2.247  -2.161   2.396  0.00  0.00    -0.409 OA
ATOM     29  H   LIG    1       -2.118  -2.833   3.092  0.00  0.00    +0.328 HD
ENDBRANCH   8  28
TORSDOF 4