REMARK  Name = BDB000654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498  -0.231  -2.057  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1       -0.382   0.482  -3.048  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.123  -0.170   0.251  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -3.066  -0.999   0.636  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.879  -1.040  -0.102  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.741  -0.244  -1.243  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.801   0.586  -1.631  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.987   0.624  -0.887  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.220  -0.230   1.065  0.00  0.00    -0.492 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.436   0.336   1.730  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -6.342   0.574   0.705  0.00  0.00    +0.225 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  C   LIG    1        0.678  -1.085  -1.645  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        0.560  -2.303  -1.696  0.00  0.00    -0.283 OA
BRANCH  12  14
ATOM     14  C   LIG    1        1.924  -0.438  -1.158  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.983  -1.257  -0.746  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.173  -0.698  -0.263  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.316   0.686  -0.189  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.256   1.502  -0.597  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.066   0.950  -1.081  0.00  0.00    +0.015 A 
BRANCH  17  20
ATOM     20  O   LIG    1        5.410   1.366   0.265  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        6.603   0.640   0.555  0.00  0.00    +0.225 C 
ATOM     22  C   LIG    1        6.618   0.188   2.005  0.00  0.00    +0.048 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 7