REMARK  Name = BDB000091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.492   1.721   2.769  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        1.218   1.083   1.757  0.00  0.00    +0.238 A 
ATOM      3  C   LIG    1        2.199   0.500   0.820  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1        1.703  -0.210  -0.276  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        2.572  -0.790  -1.204  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        3.943  -0.655  -1.028  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.457   0.048   0.056  0.00  0.00    +0.091 A 
ATOM      8  O   LIG    1        0.364  -0.389  -0.519  0.00  0.00    -0.451 OA
ATOM      9  C   LIG    1       -0.558   0.175   0.349  0.00  0.00    +0.181 A 
ATOM     10  C   LIG    1        3.585   0.626   0.981  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -0.219   0.876   1.444  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.958  -0.096  -0.043  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.334  -1.390  -0.438  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.645  -1.662  -0.837  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.587  -0.641  -0.850  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -4.239   0.650  -0.472  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.925   0.921  -0.074  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.854  -0.950  -1.245  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -6.402  -0.151  -1.176  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        4.831  -1.201  -1.905  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        4.344  -1.657  -2.612  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1        4.107   1.314   2.038  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        5.077   1.300   2.002  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH  11  24
ATOM     24  O   LIG    1       -1.129   1.420   2.334  0.00  0.00    -0.501 OA
ATOM     25  H   LIG    1       -0.572   1.835   3.029  0.00  0.00    +0.292 HD
ENDBRANCH  11  24
TORSDOF 5