REMARK  Name = BDB002072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.142  -0.204   0.017  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.701   1.091  -0.406  0.00  0.00    +0.041 A 
ATOM      3 BR   LIG    1        1.992   2.407  -0.912  0.00  0.00    -0.048 Br
ATOM      4  C   LIG    1       -0.648   1.493  -0.457  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.591   0.507  -0.093  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -1.152  -0.874   0.308  0.00  0.00    +0.102 A 
ATOM      7  N   LIG    1       -2.177  -1.688   0.608  0.00  0.00    -0.191 NA
ATOM      8  S   LIG    1       -3.562  -0.791   0.410  0.00  0.00    +0.116 S 
ATOM      9  N   LIG    1       -2.923   0.667  -0.067  0.00  0.00    -0.191 NA
ATOM     10  C   LIG    1        0.220  -1.221   0.339  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.504  -0.567  -0.078  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        3.134   0.233  -0.055  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        2.789  -1.312   0.550  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
TORSDOF 1