REMARK  Name = BDB055890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.944  -1.224  -3.253  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.989  -0.800  -2.242  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.472   0.078  -1.163  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.280   0.777  -0.447  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.642  -0.202   0.047  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.174  -1.028  -0.989  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.213  -1.488  -2.119  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.539  -2.391  -2.891  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.440  -0.647  -0.228  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.095  -1.836   0.435  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.001  -2.466   1.293  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.261  -1.912   1.498  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.484  -2.762   2.661  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.625  -0.734   0.852  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.719  -0.106  -0.006  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.699   1.725   0.664  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.683   1.333   2.012  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.099   2.210   3.017  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.534   3.489   2.680  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -2.099   4.676   4.038  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.555   3.899   1.349  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.141   3.021   0.345  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.414  -0.377  -1.633  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.619  -0.391  -0.719  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        3.755   0.564   0.298  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.862   0.540   1.147  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.842  -0.438   0.990  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.714  -1.395  -0.015  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.607  -1.374  -0.865  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4