REMARK  Name = BDB058345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.953   2.245   0.075  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.134   1.371   0.327  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1       -3.521   0.031   0.790  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -2.519  -0.900   1.053  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -2.857  -2.179   1.493  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.200  -2.522   1.668  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -5.204  -1.587   1.404  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1       -1.183  -0.623   0.900  0.00  0.00    -0.459 OA
ATOM      9  C   LIG    1       -0.816   0.639   0.454  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -4.866  -0.306   0.964  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.690   1.618   0.176  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.673   0.831   0.329  0.00  0.00    +0.079 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.262  -0.011  -0.807  0.00  0.00    +0.043 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.749   0.205  -0.944  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        3.248   1.185  -1.812  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.624   1.397  -1.921  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.510   0.635  -1.163  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.023  -0.338  -0.293  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.648  -0.552  -0.181  0.00  0.00    +0.003 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 3