REMARK  Name = BDB016561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.545  -0.277   0.398  0.00  0.00    -0.226 N 
ATOM      2  C   LIG    1        3.409   0.949  -0.250  0.00  0.00    +0.288 A 
ATOM      3  O   LIG    1        4.356   1.599  -0.692  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1        2.011   1.452  -0.397  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        1.808   2.965  -1.225  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        0.943   0.781   0.061  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        1.298  -0.487   0.744  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1        2.480  -0.986   0.901  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        5.759  -0.055   1.522  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1        4.864  -0.899   0.615  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1        5.562  -1.249  -0.699  0.00  0.00    +0.032 C 
ENDBRANCH   1  10
BRANCH   6  12
ATOM     12  N   LIG    1       -0.388   1.186  -0.048  0.00  0.00    -0.337 N 
ATOM     13  H   LIG    1       -0.488   2.009  -0.645  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.594   0.349   0.026  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -2.814   1.277   0.292  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -4.084   0.626   0.653  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1       -5.092   1.652   0.944  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -4.594  -0.308  -0.358  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -3.833  -1.633  -0.338  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -2.580  -1.685  -1.205  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -1.745  -0.414  -1.296  0.00  0.00    +0.023 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
TORSDOF 3