REMARK  Name = BDB000089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.544  -2.362  -1.225  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -1.927  -1.472  -0.650  0.00  0.00    +0.238 A 
ATOM      3  C   LIG    1       -2.530  -0.390   0.155  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -1.669   0.549   0.727  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -2.169   1.601   1.499  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -3.540   1.708   1.694  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.415   0.784   1.133  0.00  0.00    +0.091 A 
ATOM      8  O   LIG    1       -0.304   0.513   0.581  0.00  0.00    -0.451 OA
ATOM      9  C   LIG    1        0.265  -0.512  -0.158  0.00  0.00    +0.181 A 
ATOM     10  C   LIG    1       -3.910  -0.266   0.363  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -0.446  -1.476  -0.769  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.739  -0.422  -0.226  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.348   0.811  -0.510  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1        3.733   0.906  -0.558  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1        4.530  -0.201  -0.287  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1        3.953  -1.431  -0.014  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.558  -1.539   0.020  0.00  0.00    +0.015 A 
BRANCH  14  18
ATOM     18  O   LIG    1        4.302   2.098  -0.905  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1        5.056   1.874  -1.481  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1        5.889  -0.086  -0.254  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1        6.075   0.795   0.118  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   9  12
BRANCH   6  22
ATOM     22  O   LIG    1       -4.077   2.715   2.438  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -3.362   3.284   2.770  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH  10  24
ATOM     24  O   LIG    1       -4.784  -1.165  -0.179  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -5.696  -0.931   0.059  0.00  0.00    +0.292 HD
ENDBRANCH  10  24
BRANCH  11  26
ATOM     26  O   LIG    1        0.110  -2.487  -1.533  0.00  0.00    -0.501 OA
ATOM     27  H   LIG    1       -0.662  -3.002  -1.855  0.00  0.00    +0.292 HD
ENDBRANCH  11  26
TORSDOF 6