REMARK  Name = BDB064554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.056   0.562   0.844  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.230  -0.762   0.398  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.123  -1.492  -0.049  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.838  -0.918  -0.058  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.668   0.400   0.385  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.386   0.950   0.367  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.712   0.202  -0.082  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.063   0.770  -0.086  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.071   0.322   0.814  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.345   0.912   0.821  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -4.591   1.929  -0.073  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -5.761   2.604  -0.208  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -5.424   3.542  -1.253  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.074   3.376  -1.743  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.630   2.368  -0.948  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1       -2.764  -1.018   1.963  0.00  0.00    -0.124 S 
ATOM     17  C   LIG    1       -3.260  -2.411   0.903  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1       -2.132  -2.917   0.004  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -1.638  -1.924  -1.046  0.00  0.00    +0.122 C 
ATOM     20  C   LIG    1       -2.366   1.819  -0.979  0.00  0.00    +0.060 A 
ATOM     21  N   LIG    1       -0.528  -1.079  -0.512  0.00  0.00    -0.346 N 
ATOM     22  C   LIG    1        0.718  -1.625  -0.500  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        2.779   1.133   0.834  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1        5.070   2.532   1.761  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.192   1.207   1.263  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1        5.513  -1.243   0.438  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.748  -2.584   0.034  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2