REMARK  Name = BDB060831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.078  -0.753  -0.518  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        1.856  -0.361  -0.982  0.00  0.00    -0.202 NA
ATOM      3  C   LIG    1        1.101  -0.309   0.104  0.00  0.00    +0.158 A 
ATOM      4  N   LIG    1        1.888  -0.668   1.168  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        1.628  -0.735   2.146  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        3.144  -0.954   0.797  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.321   0.064   0.158  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -1.110   0.114   1.323  0.00  0.00    +0.052 A 
ATOM      9 CL   LIG    1       -0.508  -0.267   2.903  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.462   0.486   1.257  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.049   0.813   0.037  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.288   0.770  -1.124  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.942   0.401  -1.062  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  S   LIG    1        4.445  -0.975  -1.563  0.00  0.00    -0.102 S 
ATOM     15  H   LIG    1        3.809  -0.647  -2.694  0.00  0.00    +0.110 HD
ENDBRANCH   1  14
TORSDOF 2