REMARK  Name = BDB058413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.782   1.675  -0.678  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.004   1.623  -1.634  0.00  0.00    +0.108 C 
ATOM      3  O   LIG    1       -2.552   0.294  -1.663  0.00  0.00    -0.485 OA
ATOM      4  C   LIG    1       -3.381  -0.069  -0.633  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.967   0.859   0.239  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1       -4.794   0.402   1.276  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -5.041  -0.960   1.414  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1       -4.476  -1.880   0.540  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.697   2.329   0.106  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.642  -1.443  -0.497  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1       -3.023  -2.441  -1.434  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.086   2.647  -1.250  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -1.563   1.921  -3.077  0.00  0.00    +0.055 C 
BRANCH   7  14
ATOM     14  O   LIG    1       -5.842  -1.439   2.409  0.00  0.00    -0.507 OA
ATOM     15  H   LIG    1       -6.171  -0.689   2.930  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.314   0.651  -1.001  0.00  0.00    +0.031 C 
BRANCH  16  19
ATOM     17  C   LIG    1        0.523  -1.287   1.407  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        1.514  -0.198   1.087  0.00  0.00    -0.076 C 
ATOM     19  C   LIG    1        1.389   0.657   0.052  0.00  0.00    -0.028 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.684  -0.076   2.048  0.00  0.00    +0.034 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.676  -1.247   1.995  0.00  0.00    +0.032 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.390  -1.357   0.673  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1        5.652  -0.976   0.389  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        6.597  -0.308   1.345  0.00  0.00    +0.051 C 
BRANCH  23  25
ATOM     25  C   LIG    1        6.221  -1.180  -0.971  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1        7.343  -0.853  -1.319  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.385  -1.780  -1.833  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        5.907  -1.836  -2.659  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 9