REMARK  Name = BDB000563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.524  -0.916   1.112  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        0.184  -2.090   1.194  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.440   0.055  -0.444  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1        3.512   1.063  -0.149  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        2.230   0.792   0.357  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.864  -0.534   0.590  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        2.782  -1.557   0.306  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.056  -1.266  -0.206  0.00  0.00    +0.048 A 
BRANCH   4   9
ATOM      9  N   LIG    1        3.857   2.452  -0.381  0.00  0.00    +0.060 N 
ATOM     10  O   LIG    1        3.162   3.065  -1.204  0.00  0.00    -0.126 OA
ATOM     11  O   LIG    1        4.774   2.935   0.295  0.00  0.00    -0.126 OA
ENDBRANCH   4   9
BRANCH   3  13
ATOM     12  C   LIG    1        6.648  -0.564  -1.108  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.639   0.431  -0.977  0.00  0.00    -0.493 OA
ENDBRANCH   3  13
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.459   0.151   1.539  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1       -0.095   0.973   2.372  0.00  0.00    -0.283 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.820   0.209   0.942  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.704   1.188   1.406  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -3.989   1.263   0.853  0.00  0.00    +0.168 A 
ATOM     19  C   LIG    1       -4.427   0.401  -0.159  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.530  -0.569  -0.613  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -2.238  -0.666  -0.069  0.00  0.00    +0.015 A 
BRANCH  18  22
ATOM     22  N   LIG    1       -4.881   2.282   1.366  0.00  0.00    +0.060 N 
ATOM     23  O   LIG    1       -4.581   3.458   1.120  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -5.839   1.904   2.053  0.00  0.00    -0.126 OA
ENDBRANCH  18  22
BRANCH  19  25
ATOM     25  O   LIG    1       -5.689   0.586  -0.647  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -6.187  -0.367  -1.580  0.00  0.00    +0.277 C 
ENDBRANCH  19  25
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 7