REMARK  Name = BDB002831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 BR   LIG    1        1.141  -0.779  -3.149  0.00  0.00    -0.028 Br
ATOM      2  C   LIG    1        1.215  -0.734  -1.249  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        2.290  -0.378  -0.467  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.854  -0.480   0.855  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.792  -0.158   1.877  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.039   0.227   1.542  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        4.459   0.324   0.153  0.00  0.00    +0.018 A 
ATOM      8  N   LIG    1        0.596  -0.870   0.923  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        3.580   0.020  -0.817  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1        0.189  -1.049  -0.383  0.00  0.00    +0.094 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.203  -1.499  -0.656  0.00  0.00    +0.179 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -2.151  -0.399  -0.353  0.00  0.00    -0.347 N 
ATOM     13  C   LIG    1       -2.656   0.353  -1.357  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1       -3.545   1.387  -1.087  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -3.908   1.648   0.228  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -3.373   0.874   1.249  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -2.488  -0.150   0.936  0.00  0.00    +0.086 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
TORSDOF 2