REMARK  Name = BDB046265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.427  -2.254   0.547  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1       -0.541  -1.070   0.249  0.00  0.00    +0.208 A 
ATOM      3  C   LIG    1        0.561  -0.198  -0.046  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        0.291   1.106  -0.366  0.00  0.00    +0.304 A 
ATOM      5  O   LIG    1        1.413   1.813  -0.620  0.00  0.00    -0.424 OA
ATOM      6  C   LIG    1        2.446   0.930  -0.457  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        3.796   1.236  -0.621  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        4.687   0.185  -0.406  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        4.257  -1.092  -0.049  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.892  -1.371   0.109  0.00  0.00    +0.016 A 
ATOM     11  O   LIG    1       -0.876   1.729  -0.453  0.00  0.00    -0.424 OA
ATOM     12  C   LIG    1       -1.984   0.942  -0.180  0.00  0.00    +0.150 A 
ATOM     13  C   LIG    1       -3.232   1.558  -0.260  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -4.376   0.811   0.005  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -4.297  -0.537   0.348  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -3.049  -1.155   0.429  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        1.966  -0.334  -0.100  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -1.885  -0.426   0.167  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   8  19
ATOM     19  O   LIG    1        6.034   0.373  -0.540  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1        6.199   1.298  -0.789  0.00  0.00    +0.292 HD
ENDBRANCH   8  19
BRANCH  14  21
ATOM     21  O   LIG    1       -5.578   1.449  -0.084  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -6.288   0.817   0.124  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
BRANCH  16  23
ATOM     23  O   LIG    1       -3.046  -2.480   0.771  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1       -2.117  -2.802   0.796  0.00  0.00    +0.292 HD
ENDBRANCH  16  23
TORSDOF 3