REMARK  Name = BDB002448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   1.276   0.879  0.00  0.00    +0.297 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.814   1.997   2.142  0.00  0.00    +0.438 C 
ATOM      3  F   LIG    1       -0.151   3.138   2.456  0.00  0.00    -0.166 F 
ATOM      4  F   LIG    1       -2.116   2.337   1.964  0.00  0.00    -0.166 F 
ATOM      5  F   LIG    1       -0.755   1.219   3.251  0.00  0.00    -0.166 F 
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  N   LIG    1       -1.137   0.304   0.264  0.00  0.00    -0.272 N 
ATOM      7  H   LIG    1       -1.569   0.558  -0.621  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1       -1.680  -0.755   0.941  0.00  0.00    +0.282 C 
ATOM      9  O   LIG    1       -1.340  -1.039   2.085  0.00  0.00    -0.267 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -2.681  -1.483   0.193  0.00  0.00    +0.189 A 
ATOM     11  O   LIG    1       -3.017  -1.059  -1.067  0.00  0.00    -0.458 OA
ATOM     12  C   LIG    1       -3.969  -1.907  -1.534  0.00  0.00    +0.196 A 
ATOM     13  C   LIG    1       -4.256  -2.873  -0.598  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.427  -2.600   0.516  0.00  0.00    +0.054 A 
ENDBRANCH   8  10
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.082   2.454  -0.108  0.00  0.00    +0.359 C 
ATOM     16  O   LIG    1       -0.919   2.720  -0.970  0.00  0.00    -0.246 OA
BRANCH  15  18
ATOM     17  C   LIG    1        1.248   4.257  -0.819  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        1.067   3.163   0.082  0.00  0.00    -0.465 OA
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   1  19
ATOM     19  N   LIG    1        1.044   0.580   1.158  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        0.991   0.071   2.042  0.00  0.00    +0.151 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.764  -0.114   0.243  0.00  0.00    +0.160 A 
ATOM     22  S   LIG    1        1.805   0.176  -1.456  0.00  0.00    -0.061 S 
ATOM     23  C   LIG    1        2.904  -1.116  -1.661  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        3.184  -1.690  -0.440  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.091  -2.835  -0.177  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1        2.531  -1.107   0.631  0.00  0.00    -0.230 NA
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7