REMARK  Name = BDB062087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452   1.220   0.030  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1       -0.251   0.357   0.794  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.272  -0.306   0.176  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -1.558  -0.111  -1.193  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.850   0.784  -1.940  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        0.152   1.435  -1.302  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.028  -1.194   1.078  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.355  -2.154   1.856  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.051  -3.009   2.716  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.435  -2.906   2.816  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.381  -4.060   3.976  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -4.126  -1.954   2.072  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -3.425  -1.101   1.214  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.594  -0.834  -1.953  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.664  -2.239  -1.963  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.658  -2.908  -2.686  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.588  -2.178  -3.420  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -5.931  -3.081  -4.396  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.531  -0.788  -3.444  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.537  -0.124  -2.719  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        1.481   1.953   0.575  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.846   1.529   1.889  0.00  0.00    +0.232 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.087   2.296   2.347  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.402   1.753   1.762  0.00  0.00    +0.087 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.688   1.029  -0.141  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        4.507   1.778   0.295  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1        4.569   3.145  -0.227  0.00  0.00    +0.104 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7