REMARK  Name = BDB052552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.389   0.359  -0.009  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.222  -0.355   0.299  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.050   0.231   0.164  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        1.109   1.560  -0.289  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.047   2.274  -0.612  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.295   1.672  -0.478  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.884  -1.281   1.008  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -2.216  -1.444   1.747  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -3.838  -1.577   1.176  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1       -2.741  -0.247   0.123  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -3.703   0.179  -0.502  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  C   LIG    1        2.300  -0.540   0.502  0.00  0.00    +0.174 C 
ATOM     13  O   LIG    1        3.446  -0.370  -0.353  0.00  0.00    -0.367 OA
ATOM     14  C   LIG    1        2.781  -1.634  -0.422  0.00  0.00    +0.197 C 
ENDBRANCH   3  12
TORSDOF 2