REMARK  Name = BDB064556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.908   0.869  -0.749  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.233  -0.413  -0.265  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.220  -1.244   0.227  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.881  -0.813   0.244  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.559   0.463  -0.237  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.224   0.872  -0.216  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.777   0.027   0.281  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.201   0.411   0.278  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.219  -0.403  -0.301  0.00  0.00    +0.101 A 
ATOM     10  C   LIG    1       -4.568  -0.023  -0.316  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -4.887   1.181   0.268  0.00  0.00    +0.168 A 
ATOM     12  O   LIG    1       -6.131   1.714   0.359  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -5.853   2.964   1.027  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.454   3.123   1.359  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.930   1.983   0.837  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1       -2.767  -1.952  -1.049  0.00  0.00    -0.001 S 
ATOM     17  O   LIG    1       -1.637  -1.669  -1.910  0.00  0.00    -0.169 OA
ATOM     18  O   LIG    1       -3.967  -2.582  -1.549  0.00  0.00    -0.169 OA
ATOM     19  C   LIG    1       -2.169  -2.933   0.292  0.00  0.00    +0.193 C 
ATOM     20  C   LIG    1       -1.460  -2.120   1.347  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -2.594   1.633   0.858  0.00  0.00    +0.061 A 
ATOM     22  N   LIG    1       -0.440  -1.208   0.760  0.00  0.00    -0.344 N 
ATOM     23  C   LIG    1        0.853  -1.623   0.733  0.00  0.00    +0.094 A 
ATOM     24  C   LIG    1        2.577   1.296  -0.733  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  26
ATOM     25  C   LIG    1        4.681   2.887  -1.786  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.959   1.620  -1.207  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        5.560  -0.751  -0.309  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.939  -2.068   0.063  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 2