REMARK  Name = BDB049709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.977  -0.650   0.127  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.524   0.198   1.070  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1       -2.049   0.514   2.150  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -3.819   0.720   0.594  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1       -4.085   0.272  -0.633  0.00  0.00    +0.100 A 
ATOM      6 CL   LIG    1       -5.497   0.685  -1.500  0.00  0.00    -0.074 Cl
ATOM      7  S   LIG    1       -2.886  -0.772  -1.305  0.00  0.00    +0.004 S 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -0.651  -1.223   0.236  0.00  0.00    +0.133 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.434  -0.263  -0.257  0.00  0.00    +0.022 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.827  -0.878  -0.105  0.00  0.00    +0.001 C 
BRANCH  10  12
ATOM     11  C   LIG    1        3.125   1.313   0.061  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1        2.942  -0.002  -0.680  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 4