REMARK  Name = BDB062899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.568   0.051  -0.172  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.709  -0.396  -0.460  0.00  0.00    +0.045 A 
ATOM      3  S   LIG    1        0.698  -2.026  -1.005  0.00  0.00    -0.097 S 
ATOM      4  C   LIG    1       -0.997  -2.139  -0.835  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.552  -0.961  -0.387  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.070   1.650   0.650  0.00  0.00    +0.277 C 
ATOM      7  O   LIG    1       -0.746   1.331   0.247  0.00  0.00    -0.494 OA
ENDBRANCH   1   7
BRANCH   2   8
ATOM      8  C   LIG    1        2.005   0.349  -0.372  0.00  0.00    +0.124 C 
BRANCH   8   9
ATOM      9  N   LIG    1        2.800  -0.108   0.765  0.00  0.00    -0.326 NA
ATOM     10  H   LIG    1        2.966  -1.108   0.662  0.00  0.00    +0.119 HD
ATOM     11  H   LIG    1        3.712   0.343   0.732  0.00  0.00    +0.119 HD
ENDBRANCH   8   9
ENDBRANCH   2   8
TORSDOF 3