REMARK  Name = BDB000653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670  -0.413  -1.140  0.00  0.00    +0.237 C 
ATOM      2  O   LIG    1       -0.590   0.356  -2.092  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.253   0.986   0.234  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.647  -0.253  -0.024  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.981  -1.347   0.791  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.889  -1.200   1.844  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.468   0.040   2.102  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.145   1.134   1.303  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -2.898   2.363  -1.488  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -1.926   2.114  -0.471  0.00  0.00    -0.494 OA
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  11
ATOM     11  C   LIG    1        0.273  -1.592  -1.139  0.00  0.00    +0.237 C 
ATOM     12  O   LIG    1       -0.184  -2.703  -1.389  0.00  0.00    -0.283 OA
BRANCH  11  13
ATOM     13  C   LIG    1        1.723  -1.389  -0.903  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        2.243  -0.291  -0.205  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        3.626  -0.182  -0.013  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        4.490  -1.143  -0.540  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.978  -2.231  -1.242  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.600  -2.358  -1.417  0.00  0.00    +0.015 A 
BRANCH  14  19
ATOM     19  O   LIG    1        1.393   0.605   0.386  0.00  0.00    -0.494 OA
ATOM     20  C   LIG    1        1.648   1.953  -0.018  0.00  0.00    +0.277 C 
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 5