REMARK  Name = BDB047140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.621   0.454  -0.305  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.883   0.045  -0.757  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1       -2.520  -1.129  -0.393  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.753  -1.092  -1.100  0.00  0.00    +0.193 A 
ATOM      5  N   LIG    1       -3.850   0.025  -1.843  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -1.882  -1.990   0.513  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.619  -1.626   0.998  0.00  0.00    +0.047 A 
ATOM      8  O   LIG    1       -2.685   0.734  -1.615  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1        0.012  -0.453   0.569  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -4.829  -2.119  -1.082  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -4.555  -3.151  -1.925  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -4.982  -2.671   0.154  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.049  -1.636  -1.437  0.00  0.00    -0.164 F 
ENDBRANCH   4  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.019   1.779  -0.688  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1        0.356   4.176  -0.009  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.254   2.841   0.388  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   9  17
ATOM     17  O   LIG    1        1.227  -0.106   1.101  0.00  0.00    -0.475 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.393  -0.817   0.624  0.00  0.00    +0.200 C 
ATOM     19  C   LIG    1        2.632  -2.079   1.465  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        2.395  -1.162  -0.873  0.00  0.00    +0.067 C 
BRANCH  18  21
ATOM     21  C   LIG    1        3.566   0.148   0.872  0.00  0.00    +0.348 C 
ATOM     22  O   LIG    1        4.611  -0.100   1.456  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1        3.382   1.380   0.348  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        4.188   1.872   0.611  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 7