REMARK  Name = BDB058356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.761   0.646  -0.332  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.155  -0.303   0.534  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -2.983  -1.250   1.154  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1       -2.169  -2.176   1.766  0.00  0.00    -0.360 N 
ATOM      5  H   LIG    1       -2.500  -2.989   2.268  0.00  0.00    +0.165 HD
ATOM      6  C   LIG    1       -0.858  -1.856   1.562  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1       -4.380  -1.209   1.085  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -4.949  -0.195   0.319  0.00  0.00    +0.023 A 
ATOM      9 BR   LIG    1       -6.836  -0.082   0.200  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -0.816  -0.639   0.913  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.164   0.709  -0.392  0.00  0.00    +0.061 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        0.546   0.087   0.696  0.00  0.00    +0.171 A 
ATOM     13  C   LIG    1        0.889   1.423   0.614  0.00  0.00    +0.148 A 
ATOM     14  I   LIG    1       -0.238   3.098   1.117  0.00  0.00    -0.018 I 
ATOM     15  N   LIG    1        2.241   1.564   0.398  0.00  0.00    -0.201 NA
ATOM     16  C   LIG    1        2.700   0.331   0.412  0.00  0.00    +0.245 A 
ATOM     17  O   LIG    1        1.734  -0.611   0.642  0.00  0.00    -0.433 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.075  -0.003   0.233  0.00  0.00    +0.102 A 
ATOM     19  N   LIG    1        4.522  -1.302   0.243  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1        3.929  -2.112   0.373  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        5.879  -1.327   0.048  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        6.310  -0.026  -0.090  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.172   0.810   0.025  0.00  0.00    +0.032 A 
ENDBRANCH  16  18
ENDBRANCH  10  12
BRANCH   1  25
ATOM     24  C   LIG    1       -2.514   2.116  -2.200  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -1.933   1.406  -1.114  0.00  0.00    -0.494 OA
ENDBRANCH   1  25
TORSDOF 3