REMARK  Name = BDB064553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.712  -0.245  -1.193  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.148  -0.108   0.139  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.206   0.025   1.165  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.828   0.024   0.881  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.395  -0.114  -0.445  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.024  -0.109  -0.708  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.905   0.028   0.333  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.356   0.070   0.086  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.164   1.161   0.522  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.537   1.203   0.240  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -5.086   0.149  -0.454  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -6.392   0.019  -0.802  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -6.369  -1.240  -1.509  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -5.056  -1.846  -1.535  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -4.326  -0.913  -0.871  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1       -2.464   2.543   1.421  0.00  0.00    -0.123 S 
ATOM     17  C   LIG    1       -1.896   1.692   2.937  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -1.412   0.256   2.760  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -2.970  -0.983  -0.623  0.00  0.00    +0.060 A 
ATOM     20  N   LIG    1       -0.462   0.148   1.618  0.00  0.00    -0.345 N 
ATOM     21  C   LIG    1        0.868   0.154   1.888  0.00  0.00    +0.094 A 
ATOM     22  C   LIG    1        2.342  -0.246  -1.475  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        4.319  -0.480  -3.500  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.699  -0.372  -2.136  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        5.505  -0.120   0.328  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.010   0.048   1.645  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2