REMARK  Name = BDB062568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.330   2.162  -1.038  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.587   1.056  -0.499  0.00  0.00    -0.041 N 
ATOM      3  N   LIG    1       -1.969   0.636  -0.156  0.00  0.00    -0.190 N 
ATOM      4  C   LIG    1       -1.866  -0.641   0.423  0.00  0.00    +0.159 A 
ATOM      5  C   LIG    1       -3.063  -1.276   0.845  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.240  -0.646   0.680  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.315   0.675   0.078  0.00  0.00    +0.035 A 
ATOM      8  N   LIG    1       -0.595  -1.040   0.472  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1       -3.192   1.300  -0.332  0.00  0.00    +0.111 A 
ATOM     10 BR   LIG    1       -3.301   2.995  -1.104  0.00  0.00    -0.029 Br
ATOM     11  C   LIG    1        0.179   0.007  -0.096  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.631  -0.089  -0.207  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.266  -1.252   0.263  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.655  -1.403   0.183  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.426  -0.387  -0.369  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        6.302  -0.583  -0.480  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.821   0.773  -0.841  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.430   0.921  -0.760  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1