REMARK  Name = BDB052922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342   0.053   0.112  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.819   0.290   0.171  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        2.472   1.492   0.456  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        1.768   2.770   0.790  0.00  0.00    +0.000 C 
ATOM      5  N   LIG    1        3.831   1.417   0.442  0.00  0.00    +0.000 NA
ATOM      6  C   LIG    1        4.279   0.178   0.133  0.00  0.00    +0.000 A 
ATOM      7  S   LIG    1        2.989  -0.878  -0.128  0.00  0.00    +0.000 S 
BRANCH   6   8
ATOM      8  C   LIG    1        5.715  -0.172   0.045  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.124  -1.479  -0.273  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        7.483  -1.798  -0.354  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        8.461  -0.814  -0.136  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        8.054   0.485   0.209  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.696   0.805   0.290  0.00  0.00    +0.000 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.926  -1.171  -0.174  0.00  0.00    +0.000 C 
ATOM     15  F   LIG    1       10.327  -1.582   1.084  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1       10.686  -0.079  -0.555  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1       10.157  -2.194  -1.077  0.00  0.00    +0.000 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18 SE   LIG    1       -0.428   0.164   1.900  0.00  0.00    +0.000 Se
BRANCH  18  24
ATOM     19  C   LIG    1       -4.589  -2.891   0.407  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -4.045  -1.495   0.542  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.801  -0.363   0.164  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.236   0.920   0.314  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.947   1.071   0.829  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.204  -0.050   1.200  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.751  -1.327   1.058  0.00  0.00    +0.000 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -6.097  -0.547  -0.352  0.00  0.00    +0.000 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.988   0.492  -0.765  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -8.139  -0.128  -1.551  0.00  0.00    +0.000 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -7.528   1.247   0.419  0.00  0.00    +0.000 C 
ATOM     30  O   LIG    1       -7.377   0.800   1.588  0.00  0.00    +0.000 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.211   2.442   0.218  0.00  0.00    +0.000 OA
ATOM     32  H   LIG    1       -8.587   2.964   1.001  0.00  0.00    +0.000 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9