REMARK  Name = BDB016598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.486  -0.985  -1.631  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.674   0.145  -1.156  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        0.751  -0.250  -0.670  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        1.265  -1.449  -1.468  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.305  -2.639  -1.369  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.131  -2.248  -0.996  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.662   0.888  -0.816  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.640   1.295  -1.755  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.930   1.019  -0.245  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        3.955   1.727  -0.747  0.00  0.00    +0.129 A 
ATOM     11 CL   LIG    1        3.785   2.576  -2.251  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1        5.283   1.810  -0.074  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1        6.194   2.489  -0.544  0.00  0.00    -0.265 OA
ATOM     14  N   LIG    1        5.409   1.065   1.095  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1        6.651   1.097   1.845  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1        4.374   0.383   1.681  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        3.242   0.375   1.057  0.00  0.00    +0.157 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.925  -0.707  -1.704  0.00  0.00    +0.121 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -4.789   2.109   2.069  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -4.533   0.784   1.424  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -3.857   0.687   0.205  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -3.656  -0.562  -0.393  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -4.179  -1.671   0.265  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1       -4.849  -1.616   1.438  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -5.014  -0.393   1.986  0.00  0.00    +0.114 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4