REMARK  Name = BDB052629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.458  -0.175   0.584  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -2.461   0.762   0.190  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.917   0.744   0.301  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -4.652   1.935  -0.315  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -3.826   3.231  -0.278  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -2.443   3.061  -0.928  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1       -4.531  -0.199   0.795  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.811   1.832  -0.383  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -0.469   1.582  -0.373  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.237   2.213  -0.742  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.222   0.359   0.208  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.096  -0.165   0.349  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.276   0.363  -0.018  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.566  -0.323   0.206  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.557   0.522  -0.303  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.901   0.206  -0.268  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        6.257  -1.016   0.306  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        5.270  -1.874   0.821  0.00  0.00    +0.019 A 
ATOM     19 BR   LIG    1        5.790  -3.523   1.592  0.00  0.00    -0.050 Br
ATOM     20  N   LIG    1        3.991   1.678  -0.825  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        4.494   2.442  -1.248  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        3.913  -1.537   0.777  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.613   1.671  -0.696  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1        1.856   2.549  -1.063  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   1  25
ATOM     25  C   LIG    1       -1.712  -1.489   1.267  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.054  -2.594   0.273  0.00  0.00    +0.125 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -1.946  -4.185   2.122  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -2.269  -3.899   0.982  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -2.852  -4.818   0.186  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -2.940  -5.607   0.760  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5