REMARK  Name = BDB002809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.437  -0.560  -0.617  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.138  -0.036   0.524  0.00  0.00    -0.250 N 
ATOM      3  H   LIG    1       -0.422   0.212   1.327  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1        0.240  -0.962  -1.565  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.530   1.633   0.514  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -2.824   0.292  -0.080  0.00  0.00    -0.031 A 
ATOM      7  C   LIG    1       -1.893  -0.616  -0.579  0.00  0.00    +0.077 A 
ATOM      8  S   LIG    1       -2.651  -1.995  -1.266  0.00  0.00    -0.092 S 
ATOM      9  C   LIG    1       -4.206  -1.437  -0.851  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.161  -0.212  -0.229  0.00  0.00    +0.011 A 
ENDBRANCH   1   7
BRANCH   2  11
ATOM     11  C   LIG    1        1.492   0.100   0.671  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1        2.421  -0.234  -0.275  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1        2.214  -0.628  -1.186  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1        3.645   0.056   0.264  0.00  0.00    +0.236 A 
ATOM     15  N   LIG    1        3.463   0.546   1.477  0.00  0.00    -0.124 NA
ATOM     16  N   LIG    1        2.109   0.570   1.729  0.00  0.00    -0.113 NA
BRANCH  14  17
ATOM     17  C   LIG    1        4.906  -0.178  -0.474  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1        5.711  -1.078   0.145  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        4.665  -0.670  -1.721  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        5.627   0.959  -0.644  0.00  0.00    -0.163 F 
ENDBRANCH  14  17
ENDBRANCH   2  11
TORSDOF 3