REMARK  Name = BDB052926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.836   0.240   0.169  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        2.538   1.446   0.228  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        1.888   2.794   0.251  0.00  0.00    +0.000 C 
ATOM      4  N   LIG    1        3.893   1.315   0.229  0.00  0.00    +0.000 NA
ATOM      5  C   LIG    1        4.289   0.022   0.190  0.00  0.00    +0.000 A 
ATOM      6  S   LIG    1        2.957  -1.012   0.144  0.00  0.00    +0.000 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.710  -0.396   0.188  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        6.065  -1.756   0.145  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        7.409  -2.141   0.142  0.00  0.00    +0.000 A 
ATOM     10  F   LIG    1        7.716  -3.463   0.101  0.00  0.00    +0.000 F 
ATOM     11  C   LIG    1        8.429  -1.173   0.183  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        8.074   0.187   0.225  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.729   0.570   0.228  0.00  0.00    +0.000 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.875  -1.607   0.179  0.00  0.00    +0.000 C 
ATOM     15  F   LIG    1       10.119  -2.406   1.282  0.00  0.00    +0.000 F 
ATOM     16  F   LIG    1       10.137  -2.331  -0.970  0.00  0.00    +0.000 F 
ATOM     17  F   LIG    1       10.736  -0.524   0.222  0.00  0.00    +0.000 F 
ENDBRANCH  11  14
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.351   0.055   0.151  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19 SE   LIG    1       -0.384   0.680  -1.543  0.00  0.00    +0.000 Se
BRANCH  19  25
ATOM     20  C   LIG    1       -4.678  -2.498  -0.966  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -4.082  -1.140  -0.712  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.804  -0.124  -0.047  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.188   1.127   0.166  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.885   1.361  -0.280  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.178   0.355  -0.940  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.774  -0.890  -1.155  0.00  0.00    +0.000 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -6.113  -0.395   0.392  0.00  0.00    +0.000 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -7.020   0.544   0.978  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.581   1.478  -0.098  0.00  0.00    +0.000 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -8.147  -0.195   1.645  0.00  0.00    +0.000 C 
ATOM     31  O   LIG    1       -8.311  -1.427   1.441  0.00  0.00    +0.000 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.024   0.475   2.494  0.00  0.00    +0.000 OA
ATOM     33  H   LIG    1       -8.913   1.463   2.689  0.00  0.00    +0.000 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9