REMARK  Name = BDB046424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.470  -0.658   1.064  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.572  -0.849   0.201  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.411   0.229  -0.166  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.005   1.516   0.259  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.875   1.756   1.068  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.139   0.642   1.482  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.712   0.062  -0.993  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -4.581  -1.113  -0.484  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.640   1.307  -0.938  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.357  -0.159  -2.476  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -0.506   3.193   1.480  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -1.660   3.811   2.299  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        0.771   3.289   2.345  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -0.262   4.050   0.218  0.00  0.00    +0.015 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     15  C   LIG    1       -0.429  -2.637   2.612  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        0.324  -1.774   1.631  0.00  0.00    -0.037 C 
ATOM     17  C   LIG    1        1.622  -2.007   1.344  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.471  -1.305   0.399  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1        3.795  -1.522   0.309  0.00  0.00    +0.042 C 
ATOM     20  F   LIG    1        1.870  -0.446  -0.451  0.00  0.00    -0.205 F 
BRANCH  19  21
ATOM     21  C   LIG    1        4.755  -0.897  -0.611  0.00  0.00    -0.041 C 
ATOM     22  C   LIG    1        6.028  -1.345  -0.594  0.00  0.00    +0.094 C 
ATOM     23  C   LIG    1        4.253   0.218  -1.494  0.00  0.00    +0.044 C 
BRANCH  22  24
ATOM     24  C   LIG    1        7.143  -0.888  -1.444  0.00  0.00    +0.330 C 
ATOM     25  O   LIG    1        7.124  -0.147  -2.404  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.289  -1.442  -1.009  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        8.963  -1.090  -1.628  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  O   LIG    1       -1.874  -2.113  -0.249  0.00  0.00    -0.485 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.928  -2.571  -1.233  0.00  0.00    +0.300 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.554  -3.700  -2.036  0.00  0.00    +0.378 C 
ATOM     31  F   LIG    1       -1.450  -4.869  -1.351  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -0.867  -3.875  -3.195  0.00  0.00    -0.206 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10