REMARK  Name = BDB064560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.176  -0.556  -0.076  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.187   0.440  -0.192  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1       -0.835   0.151   0.128  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.472  -1.150   0.514  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.863  -1.430   0.821  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.831  -0.424   0.752  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.256  -0.637   1.008  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.232   0.263   0.624  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.539  -0.171   0.985  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.509  -1.385   1.638  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.841   1.511  -0.090  0.00  0.00    +0.058 C 
ATOM     12  C   LIG    1        2.456   1.962   0.381  0.00  0.00    +0.126 C 
ATOM     13  S   LIG    1        3.915  -1.986   1.807  0.00  0.00    -0.095 S 
ATOM     14  N   LIG    1        1.462   0.835   0.375  0.00  0.00    -0.345 N 
ATOM     15  C   LIG    1       -1.455  -2.142   0.585  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        0.173   1.120   0.077  0.00  0.00    +0.098 A 
ATOM     17  C   LIG    1       -2.790  -1.847   0.299  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -5.494  -1.171  -0.119  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.474  -0.197  -0.311  0.00  0.00    -0.491 OA
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  O   LIG    1       -2.412   1.752  -0.552  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -3.450   1.993  -1.501  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
TORSDOF 2