REMARK  Name = BDB062911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.789  -0.336  -0.083  0.00  0.00    +0.162 C 
ATOM      2  C   LIG    1        0.703  -0.400  -0.315  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        1.469   0.749  -0.319  0.00  0.00    -0.002 A 
ATOM      4  S   LIG    1        3.114   0.463  -0.615  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1        2.837  -1.220  -0.773  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.903   2.108  -0.072  0.00  0.00    +0.071 C 
ATOM      7  C   LIG    1       -0.610   2.052  -0.328  0.00  0.00    +0.166 C 
ATOM      8  C   LIG    1        1.508  -1.547  -0.598  0.00  0.00    +0.014 A 
ATOM      9  O   LIG    1       -1.213   0.971   0.402  0.00  0.00    -0.370 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.281  -1.385   0.945  0.00  0.00    +0.114 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -2.726  -1.297   1.221  0.00  0.00    -0.327 NA
ATOM     12  H   LIG    1       -2.907  -0.332   1.516  0.00  0.00    +0.118 HD
ATOM     13  H   LIG    1       -3.239  -1.395   0.346  0.00  0.00    +0.118 HD
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 2