REMARK  Name = BDB046873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.645  -2.010  -0.125  0.00  0.00    -0.043 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.158   0.927  -1.194  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1        3.098   1.419   0.041  0.00  0.00    -0.218 NA
ATOM      4  S   LIG    1        2.087   0.451   0.936  0.00  0.00    +0.019 S 
ATOM      5  C   LIG    1        1.709  -0.637  -0.330  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        2.394  -0.245  -1.462  0.00  0.00    +0.044 A 
ENDBRANCH   1   5
BRANCH   1   7
ATOM      7  S   LIG    1       -0.855  -1.467  -1.427  0.00  0.00    -0.043 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.772  -0.410  -0.378  0.00  0.00    +0.076 A 
ATOM      9  S   LIG    1       -1.984   1.261  -0.686  0.00  0.00    +0.019 S 
ATOM     10  N   LIG    1       -2.917   1.569   0.653  0.00  0.00    -0.218 NA
ATOM     11  C   LIG    1       -3.076   0.430   1.321  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -2.453  -0.731   0.779  0.00  0.00    +0.044 A 
ENDBRANCH   7   8
ENDBRANCH   1   7
TORSDOF 3