REMARK  Name = BDB002700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.615  -0.234   0.212  0.00  0.00    +0.231 A 
ATOM      2  N   LIG    1       -1.459   0.825   0.006  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.731   0.582  -0.064  0.00  0.00    +0.144 A 
ATOM      4  N   LIG    1       -3.299  -0.677   0.078  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1       -4.675  -0.857  -0.011  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -5.507   0.167  -0.235  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -4.981   1.497  -0.389  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.485  -1.769   0.329  0.00  0.00    +0.262 A 
ATOM      9  O   LIG    1       -2.874  -2.923   0.506  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.663   1.719  -0.309  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.044  -1.487   0.399  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        0.754   0.112   0.307  0.00  0.00    -0.403 OA
BRANCH  12  14
ATOM     13  O   LIG    1        1.516  -1.719  -0.887  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1        1.699  -0.691  -0.252  0.00  0.00    +0.346 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.056  -0.136   0.015  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        4.167  -0.870  -0.426  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        5.461  -0.395  -0.201  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.653   0.814   0.465  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.555   1.552   0.905  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.258   1.081   0.681  0.00  0.00    +0.015 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 3