REMARK  Name = BDB002284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.571   0.446  -1.147  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -1.389   0.369  -0.504  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1       -0.175   0.784  -1.270  0.00  0.00    +0.190 C 
ATOM      4  O   LIG    1       -0.265   1.348  -2.359  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        1.152   0.493  -0.649  0.00  0.00    +0.026 C 
ATOM      6  C   LIG    1        2.239   0.671  -1.425  0.00  0.00    +0.017 C 
ATOM      7  C   LIG    1        1.152   0.025   0.769  0.00  0.00    +0.199 C 
ATOM      8  O   LIG    1        0.037  -0.831   0.997  0.00  0.00    -0.370 OA
ATOM      9  C   LIG    1       -1.185  -0.107   0.898  0.00  0.00    +0.199 C 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.811   0.724   0.744  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1       -6.266  -0.604   0.657  0.00  0.00    +0.204 A 
ATOM     12  C   LIG    1       -5.547  -1.580  -0.055  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1       -4.334  -1.224  -0.647  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -3.857   0.089  -0.543  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -4.594   1.059   0.148  0.00  0.00    +0.057 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.326   2.983   1.300  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.602   1.596   1.446  0.00  0.00    -0.491 OA
ENDBRANCH  10  17
BRANCH  11  18
ATOM     18  O   LIG    1       -7.484  -0.934   1.212  0.00  0.00    -0.488 OA
ATOM     19  C   LIG    1       -7.298  -1.388   2.551  0.00  0.00    +0.277 C 
ENDBRANCH  11  18
BRANCH  12  20
ATOM     20  O   LIG    1       -6.098  -2.834  -0.093  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -5.492  -3.788  -0.954  0.00  0.00    +0.277 C 
ENDBRANCH  12  20
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1        3.616   0.445  -0.978  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        4.376   1.524  -0.509  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        5.683   1.322  -0.064  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1        6.221   0.023  -0.107  0.00  0.00    +0.204 A 
ATOM     26  C   LIG    1        5.463  -1.071  -0.561  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1        4.159  -0.846  -1.006  0.00  0.00    +0.057 A 
BRANCH  24  28
ATOM     28  O   LIG    1        6.509   2.305   0.417  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.975   3.616   0.530  0.00  0.00    +0.277 C 
ENDBRANCH  24  28
BRANCH  25  30
ATOM     30  O   LIG    1        7.494  -0.194   0.376  0.00  0.00    -0.488 OA
ATOM     31  C   LIG    1        8.440  -0.070  -0.684  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  26  32
ATOM     32  O   LIG    1        6.084  -2.292  -0.538  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.297  -3.433  -0.854  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH   6  22
TORSDOF 8