REMARK  Name = BDB055884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.583  -1.288  -0.236  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.386  -0.551  -0.370  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.028  -0.966   0.098  0.00  0.00    +0.056 C 
ATOM      4  N   LIG    1       -0.625  -2.309   0.193  0.00  0.00    -0.272 N 
ATOM      5  C   LIG    1       -1.146  -3.403  -0.625  0.00  0.00    +0.138 C 
ATOM      6  C   LIG    1        0.423  -2.655   0.993  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        1.240  -1.675   1.486  0.00  0.00    -0.221 N 
ATOM      8  N   LIG    1        2.169  -2.173   2.331  0.00  0.00    -0.156 NA
ATOM      9  C   LIG    1        1.907  -3.481   2.232  0.00  0.00    +0.247 A 
ATOM     10  C   LIG    1        1.169  -0.273   1.069  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        0.861  -3.820   1.414  0.00  0.00    -0.201 NA
ATOM     12  C   LIG    1       -0.193   0.044   0.458  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -0.657   1.474   0.298  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1       -1.429   1.612  -0.917  0.00  0.00    -0.479 OA
ATOM     15  C   LIG    1       -2.482   0.730  -0.947  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1       -3.652   1.193  -1.545  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -4.793   0.407  -1.501  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -4.766  -0.815  -0.829  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  10  19
ATOM     19  C   LIG    1        2.356   0.017   0.150  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1        3.485   0.683   0.660  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.578   0.970  -0.161  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.558   0.580  -1.497  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1        6.030   0.981  -2.612  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        3.462  -0.103  -2.018  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        2.369  -0.389  -1.197  0.00  0.00    +0.007 A 
ENDBRANCH  10  19
BRANCH  13  26
ATOM     26  C   LIG    1        0.417   2.551   0.274  0.00  0.00    -0.003 A 
ATOM     27  C   LIG    1        0.799   3.190   1.468  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        1.805   4.159   1.468  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        2.438   4.501   0.275  0.00  0.00    +0.018 A 
ATOM     30 BR   LIG    1        3.814   5.795   0.280  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        2.067   3.891  -0.920  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1        1.060   2.923  -0.920  0.00  0.00    +0.008 A 
ENDBRANCH  13  26
BRANCH   1  34
ATOM     33  C   LIG    1       -4.756  -3.084   0.837  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -3.534  -2.432   0.518  0.00  0.00    -0.494 OA
ENDBRANCH   1  34
TORSDOF 3