REMARK  Name = BDB052924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.500   0.064  -0.377  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.986  -0.118  -0.398  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        2.731  -0.894  -1.290  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.139  -1.669  -2.424  0.00  0.00    +0.000 C 
ATOM      5  N   LIG    1        4.075  -0.874  -1.073  0.00  0.00    +0.000 NA
ATOM      6  C   LIG    1        4.418  -0.108  -0.011  0.00  0.00    +0.000 A 
ATOM      7  S   LIG    1        3.051   0.583   0.697  0.00  0.00    +0.000 S 
BRANCH   6   8
ATOM      8  C   LIG    1        5.816   0.079   0.442  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.869  -0.554  -0.240  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        8.192  -0.384   0.180  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        8.487   0.407   1.303  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.438   1.061   1.969  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.115   0.892   1.549  0.00  0.00    +0.000 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.918   0.630   1.725  0.00  0.00    +0.000 C 
ATOM     15  F   LIG    1       10.693  -0.478   1.430  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1       10.425   1.726   1.053  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1        9.995   0.860   3.088  0.00  0.00    +0.000 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18 SE   LIG    1       -0.071   1.109  -1.921  0.00  0.00    +0.000 Se
BRANCH  18  24
ATOM     19  C   LIG    1       -4.579   2.636   0.626  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.898   1.628  -0.257  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.607   0.508  -0.738  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.973  -0.393  -1.607  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.633  -0.214  -1.954  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.919   0.876  -1.452  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.550   1.799  -0.614  0.00  0.00    +0.000 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -5.952   0.329  -0.384  0.00  0.00    +0.000 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.443  -0.662   0.534  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.275  -2.080  -0.040  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.946  -0.390   0.723  0.00  0.00    +0.000 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.707  -0.562   1.859  0.00  0.00    +0.000 C 
ATOM     31  O   LIG    1       -6.303  -0.203   2.912  0.00  0.00    +0.000 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.348  -0.862   1.918  0.00  0.00    +0.000 OA
ATOM     33  H   LIG    1       -3.836  -0.792   2.790  0.00  0.00    +0.000 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9