REMARK  Name = BDB055645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.530  -0.293   0.367  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.574   0.700   0.642  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.206   0.356   0.704  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.843  -0.972   0.486  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -0.527  -1.045   0.603  0.00  0.00    -0.355 N 
ATOM      6  H   LIG    1       -1.053  -1.906   0.522  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.068   0.197   0.875  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.774  -1.979   0.214  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.001   1.072   0.954  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1        3.125  -1.617   0.157  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.544   0.414   1.037  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -3.259   0.726  -0.257  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -4.263  -0.217  -0.480  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -5.087  -0.165  -1.589  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.895   0.875  -2.500  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -3.890   1.835  -2.280  0.00  0.00    +0.001 A 
ATOM     17 BR   LIG    1       -6.435  -1.451  -1.887  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1       -4.264  -1.151   0.550  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -4.888  -1.944   0.611  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.065   1.767  -1.151  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.272  -0.882   1.484  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -3.009  -1.589   2.444  0.00  0.00    -0.274 OA
ENDBRANCH   7  11
BRANCH   1  23
ATOM     23  C   LIG    1        4.960   0.120   0.310  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.337   1.270   0.472  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.150  -0.626  -0.006  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.760  -0.947   0.059  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   9  27
ATOM     27  N   LIG    1       -0.017   2.515   1.233  0.00  0.00    -0.028 NA
ATOM     28  O   LIG    1       -1.126   3.007   1.461  0.00  0.00    -0.143 OA
ENDBRANCH   9  27
TORSDOF 4