REMARK  Name = BDB001650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321   1.150   0.466  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.637  -0.039   0.290  0.00  0.00    +0.157 A 
ATOM      3  C   LIG    1       -1.473  -1.142  -0.084  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -2.798  -0.733  -0.238  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -3.810  -1.636  -0.618  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -3.474  -2.974  -0.842  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.164  -3.406  -0.693  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.163  -2.505  -0.318  0.00  0.00    +0.013 A 
ATOM      9  S   LIG    1       -2.978   0.944   0.094  0.00  0.00    -0.082 S 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.659   3.666   0.803  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1       -0.789   2.434   0.912  0.00  0.00    +0.170 C 
ATOM     12  O   LIG    1        0.344   2.552   1.385  0.00  0.00    -0.292 OA
ENDBRANCH   1  11
BRANCH   2  13
ATOM     13  O   LIG    1        0.695  -0.179   0.508  0.00  0.00    -0.418 OA
BRANCH  13  14
ATOM     14  C   LIG    1        1.536   0.460  -0.368  0.00  0.00    +0.380 C 
ATOM     15  O   LIG    1        1.182   1.095  -1.358  0.00  0.00    -0.241 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.911   0.248   0.025  0.00  0.00    +0.212 A 
ATOM     17  O   LIG    1        3.209  -0.558   1.094  0.00  0.00    -0.456 OA
ATOM     18  C   LIG    1        4.560  -0.572   1.226  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        5.147   0.206   0.256  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        4.087   0.732  -0.519  0.00  0.00    +0.056 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 4