REMARK  Name = BDB060647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506   0.607  -0.873  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.184  -0.552  -0.550  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -1.626  -0.635  -0.793  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -1.941  -2.138  -0.714  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -0.631  -2.786  -1.136  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.412  -1.881  -0.497  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.008   1.576  -1.424  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.675   0.902   0.062  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.787   0.378   1.010  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.425   0.274   0.714  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.951   0.681  -0.539  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.833   1.226  -1.479  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.194   1.329  -1.181  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        7.203   1.086   0.617  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        6.072   1.008   0.368  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -2.447   0.169   0.194  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -3.445   1.038  -0.272  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.223   1.776   0.622  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.014   1.654   1.994  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.025   0.798   2.474  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.246   0.061   1.580  0.00  0.00    +0.005 A 
ENDBRANCH   3  16
TORSDOF 3