REMARK  Name = BDB057375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.931  -0.317  -0.736  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        2.023  -1.077  -0.218  0.00  0.00    -0.492 OA
BRANCH   2   8
ATOM      3  C   LIG    1        6.570  -1.755   1.287  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        5.525  -0.836   0.727  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1        5.815   0.498   0.423  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        4.824   1.352  -0.058  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        3.535   0.868  -0.294  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        3.233  -0.468  -0.036  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.229  -1.309   0.475  0.00  0.00    +0.052 A 
BRANCH   5  10
ATOM     10  O   LIG    1        7.070   0.994   0.656  0.00  0.00    -0.481 OA
BRANCH  10  11
ATOM     11  C   LIG    1        7.853   0.987  -0.535  0.00  0.00    +0.349 C 
BRANCH  11  12
ATOM     12  C   LIG    1        7.932   2.333  -1.253  0.00  0.00    +0.343 C 
ATOM     13  O   LIG    1        7.396   3.369  -0.891  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.689   2.281  -2.380  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1        9.069   1.403  -2.574  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.193   0.436   0.372  0.00  0.00    +0.082 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.410  -0.505   1.416  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.372  -1.386   0.835  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.667  -0.970   0.712  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.174   0.281   1.056  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.533   0.568   0.865  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.413  -0.385   0.329  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.888  -1.639  -0.014  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.532  -1.925   0.175  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.840  -0.078   0.133  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -7.839  -0.909   0.668  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -9.194  -0.618   0.483  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -9.572   0.509  -0.241  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.598   1.345  -0.780  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.244   1.054  -0.594  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11