REMARK  Name = BDB059733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.658  -1.059  -0.858  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.516  -0.909  -0.431  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -2.920   0.435  -0.381  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.560   0.724  -0.244  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -1.091   2.036  -0.229  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -1.999   3.093  -0.349  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1       -3.325   2.845  -0.493  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1        0.273   2.063  -0.088  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        0.671   0.805  -0.067  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.424  -0.038  -0.098  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -0.399  -1.479   0.059  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.613  -2.020   0.802  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.743   1.553  -0.514  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -2.819  -2.008  -0.001  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.391  -2.847  -0.015  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.071   0.384   0.021  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        2.894   0.928   1.015  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.231   0.540   1.120  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.760  -0.386   0.223  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.957  -0.918  -0.785  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.619  -0.530  -0.890  0.00  0.00    +0.011 A 
ENDBRANCH   9  16
TORSDOF 1