REMARK  Name = BDB029426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.351  -0.591  -0.314  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.161  -0.362  -0.178  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.615   0.699   0.536  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -4.181   1.383   1.014  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.231   0.667   0.491  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.805  -0.418  -0.259  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -0.456  -0.651  -0.441  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.441   0.245   0.155  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1        0.016   1.312   0.903  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -1.315   1.512   1.058  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -2.997  -1.179  -0.755  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.908   0.107   0.034  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        2.756   0.564   1.053  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.128   0.420   0.919  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.721  -0.142  -0.153  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        3.904  -0.568  -1.135  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.520  -0.467  -1.090  0.00  0.00    +0.030 A 
ENDBRANCH   8  12
TORSDOF 1