REMARK  Name = BDB025497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.007   0.712   0.561  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -2.557   0.426   0.738  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.969  -0.067  -0.537  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.554   0.008  -1.781  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.631  -0.579  -2.649  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.529  -0.971  -2.019  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.901   0.599  -1.960  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.724  -0.639  -0.708  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.263  -0.888   0.269  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.018  -0.603   1.438  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.277   1.433  -0.709  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.564  -1.500  -0.240  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.633  -0.449  -0.480  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.676  -0.260   0.448  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.641   0.742   0.196  0.00  0.00    -0.029 A 
ATOM     16  C   LIG    1        4.580   1.495  -0.988  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.564   1.281  -1.911  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.750   1.026   1.175  0.00  0.00    +0.045 C 
ATOM     19  N   LIG    1        3.719  -0.976   1.639  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        4.644  -1.151   2.015  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        2.698  -1.946   1.979  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        2.595   0.317  -1.658  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.070  -2.567   0.742  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  N   LIG    1       -1.816  -0.729  -3.963  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -2.503  -0.177  -4.460  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.006  -0.978  -4.519  0.00  0.00    +0.144 HD
ENDBRANCH   5  24
BRANCH   1  28
ATOM     27  C   LIG    1       -4.505   0.693   3.013  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.549   1.468   1.701  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3