REMARK  Name = BDB052925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.194   0.139  -0.002  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        2.009   0.611  -1.034  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.520   0.913  -2.416  0.00  0.00    +0.000 C 
ATOM      4  N   LIG    1        3.321   0.754  -0.702  0.00  0.00    +0.000 NA
ATOM      5  C   LIG    1        3.570   0.420   0.586  0.00  0.00    +0.000 A 
ATOM      6  S   LIG    1        2.156  -0.076   1.360  0.00  0.00    +0.000 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.915   0.490   1.201  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        5.117   0.128   2.544  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.391   0.196   3.117  0.00  0.00    +0.000 A 
ATOM     10  F   LIG    1        6.550  -0.162   4.417  0.00  0.00    +0.000 F 
ATOM     11  C   LIG    1        7.492   0.630   2.357  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.290   0.993   1.013  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.016   0.923   0.443  0.00  0.00    +0.000 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.860   0.698   2.991  0.00  0.00    +0.000 C 
ATOM     15  F   LIG    1        8.825   1.558   4.074  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1        9.817   1.153   2.101  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1        9.229  -0.562   3.427  0.00  0.00    +0.000 F 
ENDBRANCH  11  14
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.278  -0.121  -0.056  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19 SE   LIG    1       -0.647  -1.667  -1.186  0.00  0.00    +0.000 Se
BRANCH  19  25
ATOM     20  C   LIG    1       -5.349  -2.504   1.324  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -4.615  -1.840   0.193  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.312  -1.024  -0.721  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.604  -0.410  -1.774  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.228  -0.605  -1.909  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.541  -1.411  -1.000  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.231  -2.028   0.046  0.00  0.00    +0.000 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -6.698  -0.850  -0.550  0.00  0.00    +0.000 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -7.530   0.004  -1.335  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.250   1.440  -1.027  0.00  0.00    +0.000 C 
ATOM     30  O   LIG    1       -7.358   1.864   0.154  0.00  0.00    +0.000 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.878   2.311  -2.047  0.00  0.00    +0.000 OA
ATOM     32  H   LIG    1       -6.685   3.286  -1.853  0.00  0.00    +0.000 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9