REMARK  Name = BDB000722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.467  -0.098   3.101  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -0.873  -0.203   3.076  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.175   0.231  -0.202  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        2.099   1.113  -0.087  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.205   1.014   0.983  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.371   0.020   1.951  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.458  -0.854   1.843  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        3.353  -0.753   0.771  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1        3.971   0.438  -1.294  0.00  0.00    -0.492 OA
BRANCH   9  11
ATOM     10  C   LIG    1        5.790  -0.055  -2.751  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1        5.067  -0.456  -1.477  0.00  0.00    +0.225 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1       -1.737  -0.270   1.891  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -1.543  -1.228   0.891  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -2.390  -1.286  -0.219  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -3.453  -0.384  -0.327  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -3.667   0.569   0.673  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -2.811   0.617   1.778  0.00  0.00    +0.053 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -2.078  -2.270  -1.119  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -2.852  -2.330  -2.309  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH  16  20
ATOM     20  O   LIG    1       -4.668   1.503   0.694  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -5.562   1.519  -0.411  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   2  12
TORSDOF 6