REMARK  Name = BDB050921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.528  -0.175   0.197  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.118  -0.366   0.169  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1        0.703   0.670  -0.348  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.096   0.496  -0.419  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        2.697  -0.680   0.028  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.912  -1.696   0.557  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.124   1.873  -0.775  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -1.249   2.077  -0.674  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.525  -1.540   0.628  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.063   1.067  -0.172  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.402  -1.123   0.773  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -3.367  -1.007   0.478  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -2.090  -2.080   0.647  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
TORSDOF 1