REMARK  Name = BDB029508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.437  -0.481   1.661  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.334  -0.186   1.210  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -5.123   1.024   0.601  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.975   1.553   0.462  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -4.162   1.260  -0.351  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.368   2.062  -1.255  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.869   0.481  -0.180  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.962   0.595  -1.412  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.611   0.456  -0.886  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        0.471   0.389  -1.745  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.364   0.415  -2.968  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.573   0.683   0.550  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.987   1.130   0.905  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -3.224  -0.985   0.113  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.146  -1.110   1.319  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.825   0.297  -1.158  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.167  -0.776  -0.326  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        3.453  -0.808   0.183  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        4.073  -1.786   1.120  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        5.557  -1.397   0.983  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        5.618   0.011   0.551  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        6.406   0.237  -0.052  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1        4.388   0.181  -0.129  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.053   1.249  -0.942  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.763   1.295  -1.479  0.00  0.00    +0.015 A 
ENDBRANCH  10  16
TORSDOF 1