REMARK  Name = BDB054387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.509  -0.141  -0.061  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.179   0.242  -0.270  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.161  -0.590   0.187  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.311  -0.444   0.104  0.00  0.00    +0.207 C 
ATOM      5  C   LIG    1       -2.017   0.673   0.913  0.00  0.00    +0.050 C 
ATOM      6  C   LIG    1       -1.358   2.052   0.824  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -3.447   0.729   0.328  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1       -3.223   0.418  -1.124  0.00  0.00    +0.203 C 
ATOM      9  O   LIG    1       -3.979   0.657  -2.043  0.00  0.00    -0.289 OA
ATOM     10  C   LIG    1       -1.892  -0.277  -1.277  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -1.415  -0.601  -2.346  0.00  0.00    -0.284 OA
ATOM     12  O   LIG    1       -1.792  -1.707   0.619  0.00  0.00    -0.441 OA
ATOM     13  C   LIG    1       -0.782  -2.498   1.097  0.00  0.00    +0.344 C 
ATOM     14  O   LIG    1       -0.943  -3.563   1.652  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        0.464  -1.794   0.799  0.00  0.00    +0.108 A 
ATOM     16  C   LIG    1        1.770  -2.191   1.020  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        2.798  -1.351   0.593  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        3.397   1.736  -1.228  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.614   0.571  -0.440  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH  16  20
ATOM     20  O   LIG    1        2.046  -3.370   1.635  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        3.006  -3.517   1.657  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
TORSDOF 2