REMARK  Name = BDB029358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.143   1.339   0.342  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.047   0.811   0.252  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -2.826   1.474   0.236  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -2.749   2.478   0.301  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.771   0.583   0.123  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.262  -0.718   0.061  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.400  -1.789  -0.051  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.026  -1.520  -0.099  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.482  -0.197  -0.037  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -0.424   0.873   0.076  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.759  -0.690   0.136  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.932   0.050  -0.091  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        2.485   0.909  -1.048  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.857   1.109  -1.059  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.708   0.525  -0.192  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.163  -0.299   0.726  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.805  -0.565   0.814  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
TORSDOF 1