REMARK  Name = BDB029500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.411  -0.784   0.430  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.638   0.231   0.478  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.898  -0.462  -0.093  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.157   0.041  -1.511  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.917  -0.608  -2.526  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.713   1.293  -1.611  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.883   1.587  -2.564  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.621   1.805  -0.720  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.438   2.654  -1.064  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.536   1.290   0.696  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -3.165  -0.187   0.726  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -1.534  -1.954  -0.077  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -0.028  -1.958  -0.316  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.454   0.245   0.144  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        3.904  -0.923  -0.370  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        2.592  -1.261  -0.301  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        1.747  -0.434   0.347  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.234   0.718   0.964  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        3.590   1.048   0.874  0.00  0.00    +0.027 A 
BRANCH  14  20
ATOM     20  N   LIG    1        5.830   0.488   0.142  0.00  0.00    -0.357 N 
ATOM     21  H   LIG    1        6.076   1.467   0.256  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        6.326   0.054  -0.631  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 2