REMARK  Name = BDB064552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.976   0.540  -0.631  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.174   0.099   0.441  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1        1.761   0.064   0.312  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.162   0.418  -0.907  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.229   0.376  -1.024  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.024  -0.011   0.062  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -2.494  -0.035  -0.014  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -3.309   0.702   0.896  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -4.707   0.698   0.783  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.270  -0.054  -0.223  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1       -6.599  -0.180  -0.473  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -6.585  -1.052  -1.624  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -5.250  -1.449  -2.013  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -4.503  -0.776  -1.100  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1       -2.591   1.691   2.205  0.00  0.00    -0.123 S 
ATOM     16  C   LIG    1       -1.769   0.389   3.192  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -1.228  -0.805   2.412  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -3.125  -0.788  -1.026  0.00  0.00    +0.060 A 
ATOM     19  N   LIG    1       -0.430  -0.359   1.238  0.00  0.00    -0.345 N 
ATOM     20  C   LIG    1        1.969   0.816  -1.978  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        0.919  -0.318   1.364  0.00  0.00    +0.098 A 
ATOM     22  C   LIG    1        3.358   0.880  -1.838  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        6.135   1.171  -1.462  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.324   0.636  -0.422  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        3.634  -0.273   1.686  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        4.915  -0.896   1.749  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2