REMARK  Name = BDB001671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.475  -1.772  -0.153  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.192  -0.792  -0.221  0.00  0.00    +0.279 C 
ATOM      3  N   LIG    1        0.877   0.502  -0.472  0.00  0.00    -0.079 N 
ATOM      4  C   LIG    1        1.946   1.315  -0.643  0.00  0.00    +0.279 C 
ATOM      5  O   LIG    1        2.007   2.473  -1.004  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.109   0.477  -0.340  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        4.453   0.792  -0.309  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.342  -0.242   0.001  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.875  -1.548   0.262  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.508  -1.845   0.219  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.649  -0.808  -0.083  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   3  12
ATOM     12  O   LIG    1       -0.417   0.887  -0.799  0.00  0.00    -0.109 OA
BRANCH  12  13
ATOM     13  S   LIG    1       -1.246   1.464   0.491  0.00  0.00    +0.131 S 
ATOM     14  O   LIG    1       -1.478   2.880   0.278  0.00  0.00    -0.140 OA
ATOM     15  O   LIG    1       -0.625   0.995   1.718  0.00  0.00    -0.140 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -2.817   0.640   0.361  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1       -3.978   1.377   0.110  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1       -5.201   0.713   0.011  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.260  -0.673   0.166  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.097  -1.403   0.423  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.870  -0.748   0.524  0.00  0.00    +0.029 A 
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 3