REMARK  Name = BDB050002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.723   0.719   0.078  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        2.248   0.482   0.055  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        1.702  -0.754   0.390  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.317  -0.965   0.329  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.520   0.097  -0.090  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1       -1.905  -0.159  -0.135  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -2.426  -1.419   0.221  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.584  -2.445   0.627  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.025   1.297  -0.429  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1       -0.215  -2.217   0.680  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.366   1.462  -0.358  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.909   0.866  -0.556  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -4.109   0.614  -0.595  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -2.461   2.106  -0.902  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.122   2.808  -1.197  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -1.465   2.318  -0.882  0.00  0.00    +0.145 HD
ENDBRANCH   6  12
TORSDOF 1