REMARK  Name = BDB000781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.126   0.383   0.028  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -2.785  -0.455   1.090  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.459  -0.873   1.253  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.450  -0.470   0.363  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.810   0.373  -0.693  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.135   0.795  -0.865  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -5.580   1.163  -0.287  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -4.482   0.815  -0.147  0.00  0.00    +0.099 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        0.864  -0.900   0.621  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        0.909  -1.861   0.943  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.055  -0.410   0.203  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.389   1.259  -0.122  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.000   0.867  -0.458  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.324   2.127  -0.990  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        4.223  -0.472  -0.284  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        3.111  -1.195   0.112  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 3