REMARK  Name = BDB047977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.349  -0.809   0.876  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.122  -1.612   1.050  0.00  0.00    +0.201 C 
ATOM      3  O   LIG    1       -1.022  -2.737   1.493  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -0.026  -0.799   0.546  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.576   0.396   0.109  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        0.251   1.374  -0.416  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        1.629   1.117  -0.500  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.167  -0.106  -0.057  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        1.324  -1.084   0.477  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -2.025   0.382   0.327  0.00  0.00    +0.008 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.990   1.448   0.033  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -3.229   1.831  -1.293  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.145   2.844  -1.579  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.826   3.482  -0.544  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.593   3.109   0.778  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.677   2.095   1.068  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1       -3.679  -1.260   1.281  0.00  0.00    +0.344 C 
ATOM     18  O   LIG    1       -3.986  -1.543   2.427  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.490  -1.298   0.192  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.957  -3.213   0.380  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -5.843  -1.702   0.441  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  22
ATOM     22  O   LIG    1        3.488  -0.459  -0.091  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.411   0.500  -0.606  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.810  -0.064  -0.514  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        6.649  -0.082  -1.637  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        7.950  -0.581  -1.542  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.427  -1.060  -0.323  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.604  -1.042   0.801  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.304  -0.545   0.708  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7