REMARK  Name = BDB029361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.094   0.255  -0.028  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.056  -0.112  -0.986  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.375  -0.188  -0.587  0.00  0.00    +0.038 A 
ATOM      4  N   LIG    1       -3.474  -0.531  -1.358  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -3.457  -0.777  -2.337  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.644  -0.500  -0.610  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1       -4.268  -0.089   0.819  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -5.762  -0.755  -1.025  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.783   0.083   0.715  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.863   0.447   1.678  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.518   0.530   1.298  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1        4.696  -1.034   0.660  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        3.642  -0.258  -0.072  0.00  0.00    +0.039 A 
ATOM     14  N   LIG    1        4.050   0.535  -1.088  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1        3.100   1.229  -1.749  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.750   1.171  -1.445  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        1.328   0.353  -0.393  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        2.305  -0.372   0.301  0.00  0.00    +0.031 A 
ENDBRANCH   1  17
TORSDOF 1