REMARK  Name = BDB003373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776  -2.978   2.903  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -0.059  -2.055   1.997  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1       -0.419  -1.412   0.820  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1        0.749  -0.704   0.406  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        1.054   0.107  -0.750  0.00  0.00    +0.198 C 
ATOM      6  C   LIG    1        2.450   0.644  -0.826  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.399   0.390   0.185  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        3.051  -0.437   1.381  0.00  0.00    +0.229 C 
ATOM      9  O   LIG    1        3.880  -0.636   2.260  0.00  0.00    -0.283 OA
ATOM     10  C   LIG    1        4.693   0.918   0.076  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.040   1.693  -1.032  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.103   1.945  -2.033  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.811   1.424  -1.934  0.00  0.00    +0.012 A 
ATOM     14  O   LIG    1        0.235   0.368  -1.622  0.00  0.00    -0.286 OA
ATOM     15  C   LIG    1        1.704  -0.936   1.368  0.00  0.00    +0.187 A 
ATOM     16  O   LIG    1        1.224  -1.746   2.344  0.00  0.00    -0.455 OA
ENDROOT
BRANCH   3  17
ATOM     17  C   LIG    1       -1.708  -1.569   0.168  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -2.392  -0.419  -0.220  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -2.252   0.875   0.457  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -2.668   2.032  -0.456  0.00  0.00    +0.179 C 
ATOM     21  O   LIG    1       -3.992   1.829  -0.971  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -4.040   0.622  -1.747  0.00  0.00    +0.179 C 
ATOM     23  C   LIG    1       -3.678  -0.597  -0.894  0.00  0.00    +0.136 C 
ATOM     24  O   LIG    1       -2.166  -2.694  -0.018  0.00  0.00    -0.270 OA
ENDBRANCH   3  17
TORSDOF 1