REMARK  Name = BDB062579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.118   0.043  -0.023  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1       -0.530   1.213   0.069  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1       -1.827   0.839   0.149  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1       -1.911  -0.552   0.102  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -3.214  -1.133   0.175  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -4.295  -0.332   0.283  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.173   1.116   0.330  0.00  0.00    +0.021 A 
ATOM      8 BR   LIG    1       -3.361  -2.991   0.115  0.00  0.00    -0.046 Br
ATOM      9  C   LIG    1       -2.948   1.661   0.261  0.00  0.00    +0.115 A 
ATOM     10  N   LIG    1       -0.702  -1.060  -0.005  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  15
ATOM     11 BR   LIG    1        6.234  -0.491  -0.487  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.357  -0.324  -0.344  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.779   0.940  -0.254  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        2.390   1.062  -0.149  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        1.570  -0.076  -0.133  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        2.171  -1.341  -0.224  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.560  -1.467  -0.330  0.00  0.00    +0.016 A 
ENDBRANCH   1  15
TORSDOF 1