REMARK  Name = BDB000090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.626  -2.821   1.040  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.154  -1.768   0.623  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        2.020  -0.679   0.158  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        1.419   0.490  -0.303  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        2.208   1.548  -0.753  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        3.595   1.424  -0.737  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.208   0.261  -0.280  0.00  0.00    +0.091 A 
ATOM      8  O   LIG    1        0.058   0.665  -0.338  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -0.754  -0.372   0.094  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.414  -0.793   0.169  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -0.297  -1.541   0.567  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.199  -0.079   0.021  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.677   1.184   0.404  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.040   1.484   0.334  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.942   0.527  -0.125  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.482  -0.728  -0.519  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.119  -1.028  -0.449  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
BRANCH   6  18
ATOM     18  O   LIG    1        4.329   2.482  -1.186  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.274   2.258  -1.122  0.00  0.00    +0.292 HD
ENDBRANCH   6  18
BRANCH  10  20
ATOM     20  O   LIG    1        4.067  -1.913   0.608  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        3.392  -2.570   0.893  0.00  0.00    +0.292 HD
ENDBRANCH  10  20
TORSDOF 3