REMARK  Name = BDB003919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.359  -0.763  -0.052  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.205   0.030   0.058  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.007  -0.469   0.586  0.00  0.00    -0.031 A 
ATOM      4  C   LIG    1       -0.008  -1.797   1.041  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.134  -2.594   0.935  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.309  -2.083   0.386  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.249   0.452   0.699  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -1.383   1.325  -0.576  0.00  0.00    +0.229 C 
ATOM      9  O   LIG    1       -0.821   2.414  -0.705  0.00  0.00    -0.274 OA
ATOM     10  N   LIG    1       -2.032   0.778  -1.648  0.00  0.00    -0.256 N 
ATOM     11  H   LIG    1       -1.680   1.288  -2.455  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1       -3.374   1.018  -1.734  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -3.814   1.694  -2.664  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.293   0.359  -0.733  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -3.847   0.448   0.719  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -2.559  -0.340   0.964  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1       -0.994   1.395   1.901  0.00  0.00    +0.026 C 
ENDBRANCH   3   7
BRANCH   1  20
ATOM     18  C   LIG    1        5.732   0.242  -1.409  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1        4.749  -0.729  -0.804  0.00  0.00    +0.214 C 
ATOM     20  N   LIG    1        3.506  -0.156  -0.603  0.00  0.00    -0.286 N 
ATOM     21  H   LIG    1        3.405   0.815  -0.873  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        5.090  -1.873  -0.525  0.00  0.00    -0.276 OA
ENDBRANCH   1  20
TORSDOF 2