REMARK  Name = BDB050003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.234   0.784   0.021  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.859  -0.469  -0.441  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.510  -0.857  -0.418  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.460   0.049   0.082  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -1.801  -0.385   0.084  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -2.154  -1.663  -0.391  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.186  -2.532  -0.875  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.075   1.276   0.531  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        0.143  -2.128  -0.888  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.238   1.614   0.493  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.930   0.461   0.581  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.088   0.057   0.571  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.646   1.708   1.052  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.395   2.292   1.391  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.687   2.051   1.064  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.751   1.545  -0.005  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        3.601   1.198   0.007  0.00  0.00    -0.068 C 
ENDBRANCH   1  17
TORSDOF 2