REMARK  Name = BDB016576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.101  -1.371  -0.687  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        1.180  -2.279  -0.225  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        5.420   2.215   0.008  0.00  0.00    +0.176 C 
ATOM      4  N   LIG    1        4.342   1.250  -0.111  0.00  0.00    -0.231 N 
ATOM      5  C   LIG    1        4.523  -0.053   0.338  0.00  0.00    +0.287 A 
ATOM      6  O   LIG    1        5.556  -0.447   0.877  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        3.361  -0.967   0.139  0.00  0.00    +0.129 A 
ATOM      8 CL   LIG    1        3.515  -2.579   0.764  0.00  0.00    -0.076 Cl
ATOM      9  C   LIG    1        2.229  -0.579  -0.471  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        2.274   0.825  -0.956  0.00  0.00    +0.157 A 
ATOM     11  N   LIG    1        3.232   1.677  -0.794  0.00  0.00    -0.175 NA
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1       -0.276  -0.918  -0.888  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -0.886  -0.382   0.430  0.00  0.00    +0.107 C 
ATOM     14  N   LIG    1       -2.305   0.002   0.268  0.00  0.00    -0.293 NA
ATOM     15  C   LIG    1       -3.096  -1.167  -0.158  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.585  -1.718  -1.490  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -1.110  -2.096  -1.409  0.00  0.00    +0.025 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -2.826   0.496   1.564  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1       -4.164   1.238   1.380  0.00  0.00    +0.181 C 
ATOM     20  O   LIG    1       -3.647   2.393   2.098  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1       -2.294   1.908   1.877  0.00  0.00    +0.181 C 
ENDBRANCH  14  18
ENDBRANCH   1  12
TORSDOF 3