REMARK  Name = BDB064403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.553   0.145  -0.624  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1        0.412   0.470   0.315  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.289   1.085   1.355  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.679  -0.088  -0.170  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.425  -0.775  -1.359  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.451  -1.412  -2.035  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        3.739  -1.342  -1.492  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.969  -0.637  -0.291  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        2.935  -0.001   0.397  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -0.029  -0.693  -1.692  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  16
ATOM     11  O   LIG    1       -5.638   1.498   1.122  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -4.558   1.144   0.658  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -3.763   2.042  -0.002  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1       -4.102   2.994   0.080  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -2.337   1.845  -0.174  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1       -1.986   0.381  -0.475  0.00  0.00    +0.094 C 
ATOM     17  C   LIG    1       -2.600  -0.490   0.624  0.00  0.00    +0.033 C 
ATOM     18  C   LIG    1       -4.112  -0.304   0.663  0.00  0.00    +0.097 C 
ENDBRANCH   1  16
BRANCH   8  19
ATOM     19  S   LIG    1        5.608  -0.593   0.371  0.00  0.00    +0.147 S 
ATOM     20  F   LIG    1        5.490  -0.059   1.865  0.00  0.00    -0.056 F 
ATOM     21  O   LIG    1        6.339   0.421  -0.358  0.00  0.00    -0.138 OA
ATOM     22  O   LIG    1        6.068  -1.962   0.482  0.00  0.00    -0.138 OA
ENDBRANCH   8  19
TORSDOF 2