REMARK  Name = BDB060098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.866  -1.959  -0.162  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.498  -1.571  -0.204  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1       -1.501  -2.450  -0.641  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -2.903  -1.966  -0.654  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -3.127  -0.578  -0.219  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -2.088   0.162   0.179  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -3.869  -2.634  -0.999  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -1.148  -3.742  -1.041  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1        0.187  -4.141  -1.022  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -0.784  -0.287   0.203  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        1.179  -3.254  -0.604  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.249   1.562   0.612  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -1.343   2.538   0.171  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.467   3.867   0.581  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.497   4.238   1.441  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.401   3.279   1.895  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.277   1.949   1.485  0.00  0.00    +0.011 A 
ENDBRANCH   6  12
BRANCH   8  18
ATOM     18  O   LIG    1       -2.090  -4.634  -1.466  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -1.682  -5.493  -1.659  0.00  0.00    +0.292 HD
ENDBRANCH   8  18
BRANCH  11  20
ATOM     20  O   LIG    1        2.451  -3.750  -0.664  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        3.074  -3.034  -0.873  0.00  0.00    +0.292 HD
ENDBRANCH  11  20
BRANCH   1  22
ATOM     22  C   LIG    1        1.940  -1.011   0.390  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.122   0.287  -0.416  0.00  0.00    -0.036 A 
ATOM     24  C   LIG    1        2.499   1.494   0.201  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.702   2.657  -0.548  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.547   2.634  -1.930  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.200   1.446  -2.566  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.000   0.283  -1.819  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1        2.517  -1.329   2.843  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        1.733  -0.812   1.886  0.00  0.00    -0.022 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 6