REMARK  Name = BDB050005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.920  -0.631  -0.540  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1        1.482   0.679  -0.364  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.133   0.959  -0.084  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.788  -0.113   0.007  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.129   0.215   0.290  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -2.529   1.554   0.472  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.608   2.587   0.375  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.360  -1.390  -0.182  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -0.281   2.289   0.098  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.951  -1.617  -0.450  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.209  -0.812   0.417  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.371  -0.497   0.653  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.875  -2.124   0.263  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.592  -2.830   0.337  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.915  -2.392   0.056  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.384  -0.303  -0.460  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        3.306  -0.985  -0.867  0.00  0.00    +0.002 C 
ENDBRANCH   1  17
TORSDOF 2