REMARK  Name = BDB001554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.879  -0.166   1.073  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -1.811  -0.985   0.143  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -1.666  -2.114  -0.293  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -2.977  -0.160  -0.174  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.829   1.114   0.355  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.789   2.093   0.172  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.930   1.752  -0.560  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.082   0.459  -1.095  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.096  -0.514  -0.907  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.548   1.226   1.048  0.00  0.00    +0.222 C 
ATOM     11  O   LIG    1       -1.093   2.282   1.460  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1        1.090  -2.138   1.123  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.387  -1.036   0.675  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1        0.479  -0.005   0.605  0.00  0.00    -0.271 N 
ATOM     15  H   LIG    1        0.848   0.937   0.669  0.00  0.00    +0.153 HD
BRANCH  13  16
ATOM     16  C   LIG    1        2.784  -0.728   0.260  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.816  -1.542   0.744  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.140  -1.288   0.380  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.437  -0.227  -0.473  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.412   0.578  -0.971  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.086   0.328  -0.609  0.00  0.00    +0.013 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  O   LIG    1       -0.842  -0.668   2.384  0.00  0.00    -0.359 OA
ATOM     23  H   LIG    1       -0.337  -1.506   2.298  0.00  0.00    +0.213 HD
ENDBRANCH   1  22
TORSDOF 3