REMARK  Name = BDB064540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.962   0.697  -0.709  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.214  -0.014   0.250  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1        1.796  -0.009   0.201  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.136   0.662  -0.841  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.260   0.657  -0.884  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.999  -0.006   0.102  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -2.467  -0.015   0.132  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.169   0.305   1.324  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -4.562   0.354   1.381  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1       -5.249   0.040   0.232  0.00  0.00    +0.170 A 
ATOM     11  O   LIG    1       -6.599   0.018   0.091  0.00  0.00    -0.452 OA
ATOM     12  C   LIG    1       -6.730  -0.351  -1.299  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -5.455  -0.567  -1.947  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -4.596  -0.292  -0.931  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1       -2.477   0.662   2.451  0.00  0.00    -0.489 OA
ATOM     16  C   LIG    1       -1.808  -0.439   3.080  0.00  0.00    +0.250 C 
ATOM     17  C   LIG    1       -1.101  -1.413   2.139  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.218  -0.326  -1.016  0.00  0.00    +0.063 A 
ATOM     19  N   LIG    1       -0.345  -0.659   1.103  0.00  0.00    -0.343 N 
ATOM     20  C   LIG    1        1.889   1.331  -1.810  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.008  -0.659   1.159  0.00  0.00    +0.098 A 
ATOM     22  C   LIG    1        3.285   1.352  -1.741  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        6.084   1.521  -1.466  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.322   0.730  -0.561  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        3.737  -0.709   1.320  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.003  -1.339   1.129  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2