REMARK  Name = BDB059065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.472  -2.072  -1.062  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1       -0.285  -1.790  -0.482  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1       -0.056  -0.483  -0.218  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1       -0.921   0.568  -0.509  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.276   1.724   0.003  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        0.935   1.435   0.490  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -2.122   0.228  -1.154  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1        1.065   0.081   0.388  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -2.410  -1.112  -1.409  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.255  -0.547   0.873  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        3.263   0.249   1.448  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.439  -0.330   1.933  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.617  -1.707   1.848  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1        6.206  -2.493   2.502  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        3.629  -2.509   1.283  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.450  -1.933   0.796  0.00  0.00    +0.029 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  C   LIG    1       -0.770   3.147   0.062  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -0.027   4.040  -0.934  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -0.674   3.731   1.476  0.00  0.00    +0.014 C 
ENDBRANCH   5  17
BRANCH   1  21
ATOM     20  C   LIG    1       -2.490  -4.163  -0.132  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -1.764  -3.533  -1.310  0.00  0.00    +0.052 C 
ENDBRANCH   1  21
BRANCH   7  22
ATOM     22  C   LIG    1       -3.092   1.236  -1.589  0.00  0.00    +0.338 C 
ATOM     23  O   LIG    1       -4.255   1.237  -1.230  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.564   2.106  -2.474  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -1.649   1.909  -2.752  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5