REMARK  Name = BDB061220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.733   0.307   2.782  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.766   0.174   1.552  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -0.392   0.295   0.797  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.595   0.681   1.536  0.00  0.00    +0.143 C 
ATOM      5  C   LIG    1       -2.896   0.527   0.781  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.930   0.100  -0.556  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -4.160  -0.044  -1.212  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -5.351   0.259  -0.553  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -5.322   0.699   0.768  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.650  -0.256  -1.259  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -4.102   0.831   1.432  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -0.457   0.479  -0.651  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1        2.120  -0.123   0.901  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1        2.152  -1.431   0.096  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        3.049  -1.350  -1.139  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1        4.348  -0.616  -0.831  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        4.120   0.817  -0.343  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        2.700   1.085   0.160  0.00  0.00    +0.013 C 
ENDBRANCH   2  13
TORSDOF 1