REMARK  Name = BDB061925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.929  -0.412   0.916  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.665   0.046  -0.375  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.375   0.481  -0.739  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.153   0.967  -2.150  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.102   1.822  -2.291  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -1.292   1.102  -1.672  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -1.085   0.897  -0.158  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        0.323   0.418   0.196  0.00  0.00    -0.037 A 
ATOM      9  C   LIG    1        0.610  -0.020   1.499  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.896  -0.436   1.850  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.211   0.020   0.380  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1       -2.257  -1.358   0.109  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.299  -2.145   0.601  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.310  -1.567   1.365  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.280  -0.201   1.639  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.239   0.589   1.148  0.00  0.00    +0.004 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     17  C   LIG    1        5.221  -0.857   0.466  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.136  -0.852   1.385  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
TORSDOF 2