REMARK  Name = BDB009252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421   0.431  -2.104  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.410  -0.585  -1.615  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.661  -0.833  -2.206  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.049  -0.074  -3.319  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.215   0.925  -3.821  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.017   1.178  -3.216  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.630   1.255  -2.168  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.748   0.733  -1.496  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.900   0.423  -0.159  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.095   0.148   0.388  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.127   0.734   0.550  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.249  -0.257   0.231  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.504   0.052   1.010  0.00  0.00    -0.045 A 
ATOM     14  C   LIG    1        6.418   1.001   0.527  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        7.567   1.299   1.259  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        8.794   2.578   0.599  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        7.819   0.663   2.473  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.913  -0.278   2.961  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.759  -0.581   2.234  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.555  -1.930  -1.675  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.860  -1.782  -0.187  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.876  -0.781   0.269  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.647   0.048  -0.721  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.855   0.761  -0.104  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.498   1.382   1.240  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.008   0.317   2.222  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.057  -0.666   1.596  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.295  -1.533   2.530  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.448  -1.468   3.745  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.416  -2.407   1.952  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.893  -3.015   2.574  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.178  -2.540   0.621  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6