REMARK  Name = BDB062088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.218  -0.909   0.211  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1        1.371   0.099  -0.082  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1        0.039  -0.162   0.068  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.422  -1.433   0.472  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1        0.453  -2.436   0.774  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        1.767  -2.147   0.633  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.825   1.002  -0.207  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.695   1.712  -1.415  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -1.504   2.817  -1.697  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.451   3.232  -0.766  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -3.550   4.723  -1.144  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -2.590   2.560   0.445  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.776   1.457   0.724  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.839  -1.824   0.589  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.751  -1.638  -0.466  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.093  -2.010  -0.335  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.539  -2.585   0.852  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -6.352  -3.087   1.030  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -3.655  -2.799   1.905  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -2.314  -2.424   1.770  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        3.579  -0.733   0.091  0.00  0.00    -0.474 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.946   0.601  -0.281  0.00  0.00    +0.245 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.475   0.661  -0.373  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.965   1.979  -0.772  0.00  0.00    -0.327 NA
ATOM     25  H   LIG    1        6.982   1.951  -0.845  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        5.621   2.207  -1.705  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6