REMARK  Name = BDB002807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.273  -1.331   0.090  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.004  -0.100   0.621  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.101   0.305   0.824  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        2.215   0.489   0.884  0.00  0.00    +0.236 A 
ATOM      5  N   LIG    1        3.171  -0.352   0.546  0.00  0.00    -0.124 NA
ATOM      6  N   LIG    1        2.577  -1.496   0.069  0.00  0.00    -0.113 NA
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.624  -3.283  -0.439  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.998  -2.225  -0.379  0.00  0.00    +0.257 C 
ATOM      9  N   LIG    1        0.374  -2.287  -0.299  0.00  0.00    -0.250 N 
ATOM     10  H   LIG    1        0.767  -3.209  -0.447  0.00  0.00    +0.158 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -1.645  -0.931  -0.455  0.00  0.00    +0.074 A 
ATOM     12  S   LIG    1       -2.832  -0.518   0.705  0.00  0.00    -0.092 S 
ATOM     13  C   LIG    1       -3.073   1.022  -0.001  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -2.282   1.212  -1.112  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -1.463   0.077  -1.383  0.00  0.00    +0.021 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1        2.318   1.849   1.459  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1        3.021   1.878   2.617  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        2.897   2.730   0.607  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        1.082   2.348   1.745  0.00  0.00    -0.163 F 
ENDBRANCH   4  16
TORSDOF 3