REMARK  Name = BDB062900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.897  -0.181  -0.905  0.00  0.00    +0.135 A 
ATOM      2  S   LIG    1        0.649  -0.702  -1.954  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1       -0.512  -0.397  -0.719  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.150   0.076   0.415  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -0.609   0.370   1.563  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.000   0.199   1.538  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.656  -0.217   0.381  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.907  -0.571  -0.748  0.00  0.00    +0.040 A 
ATOM      9  N   LIG    1        1.524   0.198   0.295  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -4.030  -0.491   0.417  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -4.479  -0.484  -0.493  0.00  0.00    +0.142 HD
ATOM     12  H   LIG    1       -4.543   0.054   1.104  0.00  0.00    +0.142 HD
ENDBRANCH   7  10
BRANCH   1  14
ATOM     13  C   LIG    1        4.369   0.446   0.098  0.00  0.00    +0.092 C 
ATOM     14  S   LIG    1        3.575  -0.158  -1.407  0.00  0.00    -0.102 S 
ENDBRANCH   1  14
TORSDOF 2