REMARK  Name = BDB053109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.936   2.650   1.403  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.270   1.950   0.665  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.370   0.587   0.457  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.610   0.096  -0.494  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.349   1.350  -0.879  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.392   1.539  -1.774  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.893   2.835  -1.942  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.351   3.919  -1.228  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.296   3.726  -0.335  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.820   2.437  -0.186  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.519  -0.988   0.074  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.691  -2.218  -0.589  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.527  -3.208  -0.065  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.206  -2.982   1.129  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.235  -4.200   1.773  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.058  -1.773   1.803  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.221  -0.783   1.279  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        0.090  -0.344  -1.641  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.935   0.134  -1.605  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.326  -0.259   1.149  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.564  -0.516   0.325  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.757  -1.752  -0.309  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.892  -1.977  -1.091  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        4.838  -0.966  -1.245  0.00  0.00    +0.018 A 
ATOM     25 BR   LIG    1        6.373  -1.270  -2.305  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        4.660   0.269  -0.625  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        3.525   0.493   0.156  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4