REMARK  Name = BDB055894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.555  -1.625  -2.249  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.529  -1.640  -1.213  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -0.851  -1.076   0.111  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        0.375  -1.020   1.080  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.924  -2.340   1.219  0.00  0.00    -0.361 OA
ATOM      6  C   LIG    1        1.283  -2.909  -0.029  0.00  0.00    +0.256 C 
ATOM      7  C   LIG    1        0.360  -2.724  -1.252  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1        0.457  -3.474  -2.224  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -1.638   0.230   0.112  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -1.272   1.333  -0.675  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.999   2.526  -0.624  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.100   2.629   0.221  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -4.083   4.241   0.291  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -3.482   1.550   1.013  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.753   0.359   0.960  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1        1.498  -0.011   0.864  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.012   0.320  -0.400  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.057   1.240  -0.534  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.609   1.833   0.598  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        5.020   3.076   0.414  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        3.131   1.509   1.863  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.087   0.589   1.993  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
TORSDOF 2