REMARK  Name = BDB011688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.471  -0.278   0.575  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        1.626  -1.194   0.687  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.915  -0.713   0.395  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.035  -1.546   0.472  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        3.865  -2.869   0.853  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.604  -3.370   1.160  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1        4.930  -3.677   0.933  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.087   0.710   0.017  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1        4.186   1.177  -0.258  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        1.950   1.480   0.001  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        2.096   2.460  -0.213  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.486  -2.535   1.080  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.682   1.023   0.279  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -0.407   2.017   0.218  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.228   2.252   1.331  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -2.246   3.198   1.257  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -3.025   3.409   2.327  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -2.456   3.919   0.088  0.00  0.00    +0.158 A 
ATOM     19  F   LIG    1       -3.438   4.828   0.022  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -1.650   3.704  -1.024  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -0.625   2.756  -0.959  0.00  0.00    +0.013 A 
ENDBRANCH  13  14
BRANCH   1  22
ATOM     22  O   LIG    1       -0.771  -0.807   0.869  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.457  -1.224  -0.321  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.801  -1.836   0.089  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.595  -2.305  -1.044  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -3.067  -2.987  -1.586  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -3.797  -1.529  -1.673  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5