REMARK  Name = BDB052927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.821  -0.069   0.318  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.306  -0.246   0.300  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        3.131  -0.592   1.373  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.641  -0.816   2.769  0.00  0.00    +0.000 C 
ATOM      5  N   LIG    1        4.454  -0.683   1.066  0.00  0.00    +0.000 NA
ATOM      6  C   LIG    1        4.702  -0.433  -0.240  0.00  0.00    +0.000 A 
ATOM      7  S   LIG    1        3.274  -0.080  -1.065  0.00  0.00    +0.000 S 
BRANCH   6   8
ATOM      8  C   LIG    1        6.059  -0.471  -0.835  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        7.171  -0.779  -0.035  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        8.456  -0.818  -0.585  0.00  0.00    +0.000 A 
ATOM     11  F   LIG    1        9.509  -1.120   0.218  0.00  0.00    +0.000 F 
ATOM     12  C   LIG    1        8.655  -0.548  -1.950  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.542  -0.240  -2.752  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.258  -0.202  -2.200  0.00  0.00    +0.000 A 
BRANCH  12  15
ATOM     15  C   LIG    1       10.050  -0.595  -2.528  0.00  0.00    +0.000 C 
ATOM     16  F   LIG    1       10.849   0.328  -1.878  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1       10.055  -0.304  -3.882  0.00  0.00    +0.000 F 
ATOM     18  F   LIG    1       10.582  -1.859  -2.349  0.00  0.00    +0.000 F 
ENDBRANCH  12  15
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19 SE   LIG    1        0.348   1.532   1.327  0.00  0.00    +0.000 Se
BRANCH  19  24
ATOM     20  C   LIG    1       -4.263   0.554   0.905  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.532   0.063   2.005  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.210  -0.789   3.042  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -2.164   0.358   2.123  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.525   1.142   1.159  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.247   1.638   0.072  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.607   1.349  -0.057  0.00  0.00    +0.000 A 
BRANCH  20  27
ATOM     27  O   LIG    1       -5.630   0.238   0.809  0.00  0.00    +0.000 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.488   0.564  -0.287  0.00  0.00    +0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -8.950   0.738  -0.918  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -7.937   0.250   0.118  0.00  0.00    +0.000 C 
ENDBRANCH  28  30
BRANCH  28  31
ATOM     31  C   LIG    1       -6.090  -0.231  -1.504  0.00  0.00    +0.000 C 
ATOM     32  O   LIG    1       -5.973  -1.483  -1.428  0.00  0.00    +0.000 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.854   0.402  -2.721  0.00  0.00    +0.000 OA
ATOM     34  H   LIG    1       -5.951   1.405  -2.821  0.00  0.00    +0.000 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 10