REMARK  Name = BDB003661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.904  -0.707   1.405  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -2.556  -0.371   0.894  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -2.070   0.592   0.018  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1       -0.674   0.334  -0.092  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        0.394   0.988  -0.812  0.00  0.00    +0.198 C 
ATOM      6  C   LIG    1        1.738   0.333  -0.727  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.961  -0.799   0.084  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.855  -1.401   0.890  0.00  0.00    +0.229 C 
ATOM      9  O   LIG    1        1.068  -2.357   1.625  0.00  0.00    -0.283 OA
ATOM     10  C   LIG    1        3.238  -1.373   0.143  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.285  -0.825  -0.600  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.066   0.295  -1.401  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.797   0.876  -1.466  0.00  0.00    +0.012 A 
ATOM     14  O   LIG    1        0.242   2.036  -1.423  0.00  0.00    -0.286 OA
ATOM     15  C   LIG    1       -0.416  -0.758   0.703  0.00  0.00    +0.187 A 
ATOM     16  O   LIG    1       -1.545  -1.183   1.322  0.00  0.00    -0.455 OA
ENDROOT
BRANCH   3  17
ATOM     17  C   LIG    1       -2.860   1.593  -0.670  0.00  0.00    +0.341 C 
ATOM     18  O   LIG    1       -2.798   1.794  -1.872  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.712   2.278   0.136  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -3.566   2.090   1.081  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 2