REMARK  Name = BDB047963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.613  -0.324  -0.059  0.00  0.00    -0.082 NA
ATOM      2  C   LIG    1       -0.037  -1.442  -0.045  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        0.392  -2.830  -0.146  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.778  -3.562   0.056  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -0.745  -4.945   0.038  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        0.481  -5.581  -0.183  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.652  -4.831  -0.384  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.927  -2.776   0.257  0.00  0.00    -0.244 NA
ATOM      9  C   LIG    1        1.616  -3.435  -0.365  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.535  -1.526   0.166  0.00  0.00    +0.106 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.513  -0.468   0.313  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -2.518   0.885  -0.163  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.694   1.510   0.302  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -3.960   2.867   0.004  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -3.045   3.579  -0.783  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -1.901   2.971  -1.274  0.00  0.00    +0.002 A 
ATOM     17 BR   LIG    1       -5.492   3.819   0.587  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1       -4.391   0.541   1.009  0.00  0.00    -0.313 N 
ATOM     19  C   LIG    1       -5.667   0.711   1.671  0.00  0.00    +0.152 C 
ATOM     20  C   LIG    1       -1.636   1.635  -0.975  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -3.713  -0.651   0.977  0.00  0.00    +0.203 A 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.222  -1.746   1.540  0.00  0.00    -0.493 OA
ATOM     23  H   LIG    1       -3.620  -2.483   1.296  0.00  0.00    +0.294 HD
ENDBRANCH  21  22
ENDBRANCH  10  11
BRANCH   1  24
ATOM     24  O   LIG    1        1.987  -0.508  -0.235  0.00  0.00    -0.392 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.627   0.772  -0.178  0.00  0.00    +0.278 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.136   0.566  -0.374  0.00  0.00    +0.127 C 
BRANCH  26  28
ATOM     27  C   LIG    1        4.983   2.439   0.937  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        5.004   1.755  -0.353  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1        4.707   2.683  -1.441  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6