REMARK  Name = BDB023725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804  -1.181   0.779  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.606  -1.869  -0.400  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.540  -2.764  -0.579  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.147  -3.661  -1.749  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.754  -2.764  -2.594  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.509  -1.952  -1.540  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.066  -1.181   1.657  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.786  -1.927  -0.845  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.455  -1.311   0.175  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.854  -0.951   0.917  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.397  -0.414  -0.446  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        4.805  -0.696   0.073  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        3.364  -0.795  -1.847  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        2.263  -1.696  -2.039  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        3.007   1.048  -0.254  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.804   1.575   1.036  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.492   2.925   1.222  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.384   3.769   0.121  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        1.990   5.600   0.371  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        2.573   3.272  -1.165  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.881   1.921  -1.350  0.00  0.00    +0.010 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1       -1.639  -3.536  -3.389  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -1.092  -4.036  -4.021  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.120  -0.405   0.947  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -1.585   4.346  -0.873  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -1.576   3.091  -0.090  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -1.018   3.052   1.125  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -1.162   1.751   1.565  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -1.828   1.024   0.626  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -2.105   1.832  -0.451  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.705  -0.595   2.373  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -3.003  -2.075   2.651  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -3.998   0.208   2.573  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 6