REMARK  Name = BDB060828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.209  -0.157  -0.108  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        2.067   0.576   0.043  0.00  0.00    -0.202 NA
ATOM      3  C   LIG    1        1.099  -0.316  -0.079  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        1.682  -1.537  -0.296  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        1.241  -2.437  -0.433  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        3.021  -1.460  -0.318  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.342  -0.065   0.000  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -1.297  -1.083  -0.143  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.664  -0.796  -0.060  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.094   0.509   0.167  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.159   1.531   0.311  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.794   1.244   0.228  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  S   LIG    1        4.790   0.554  -0.032  0.00  0.00    -0.102 S 
ATOM     14  H   LIG    1        4.367   1.805   0.186  0.00  0.00    +0.110 HD
ENDBRANCH   1  13
TORSDOF 2