REMARK  Name = BDB029396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430   0.251  -0.233  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.446   0.043   0.721  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -2.739  -0.186   0.282  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.990  -0.440   1.069  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1       -5.038  -0.607  -0.038  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1       -4.386  -0.457  -1.257  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.863  -0.525  -2.143  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -6.227  -0.830   0.112  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.035  -0.211  -1.077  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.078  -0.013  -2.045  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.768   0.219  -1.611  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        3.305  -0.007   0.126  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        3.618   0.972   1.000  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        2.591   1.711   1.466  0.00  0.00    +0.115 A 
ATOM     15  C   LIG    1        1.268   1.516   1.100  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        0.958   0.498   0.191  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1        2.014  -0.276  -0.302  0.00  0.00    +0.075 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.596  -0.480   0.090  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1        4.299  -0.810  -0.398  0.00  0.00    -0.480 OA
ENDBRANCH  12  19
ENDBRANCH   1  16
TORSDOF 2