REMARK  Name = BDB016562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.036  -0.098  -0.522  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1        3.781  -1.109   0.399  0.00  0.00    +0.287 A 
ATOM      3  O   LIG    1        4.636  -1.909   0.777  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1        2.380  -1.177   0.906  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        2.007  -2.470   2.003  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        1.429  -0.307   0.531  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        1.925   0.742  -0.398  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1        3.115   0.849  -0.892  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        6.234   0.962  -0.161  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1        5.382   0.077  -1.057  0.00  0.00    +0.144 C 
ENDBRANCH   1  10
BRANCH   6  11
ATOM     11  N   LIG    1        0.099  -0.313   0.956  0.00  0.00    -0.337 N 
ATOM     12  H   LIG    1       -0.113  -1.148   1.506  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.068   0.223   0.238  0.00  0.00    +0.084 C 
ATOM     14  C   LIG    1       -2.211   0.446   1.265  0.00  0.00    +0.106 C 
ATOM     15  N   LIG    1       -3.501   0.917   0.717  0.00  0.00    -0.304 NA
ATOM     16  C   LIG    1       -4.331   1.421   1.820  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1       -4.208  -0.174   0.029  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -3.896  -0.241  -1.466  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -2.433  -0.126  -1.882  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -1.429  -0.735  -0.908  0.00  0.00    +0.023 C 
ENDBRANCH  11  13
ENDBRANCH   6  11
TORSDOF 3