REMARK  Name = BDB028808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.513   1.909  -0.126  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.338  -1.326  -0.217  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.255  -0.750  -0.214  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -4.021   0.327  -1.031  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -4.791   0.609  -1.621  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.819   0.951  -1.284  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -2.748   1.770  -2.199  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.626   0.486  -0.446  0.00  0.00    +0.139 C 
ATOM      9  C   LIG    1       -2.114  -0.089   0.885  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -3.089  -1.225   0.616  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.045   1.083   0.126  0.00  0.00    +0.098 A 
ATOM     12  N   LIG    1        1.066  -0.267   0.182  0.00  0.00    -0.248 NA
ATOM     13  C   LIG    1        2.265  -0.867   0.380  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        3.463  -0.183   0.525  0.00  0.00    +0.073 A 
ATOM     15  C   LIG    1        3.414   1.212   0.475  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.193   1.853   0.271  0.00  0.00    +0.035 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.733  -0.939   0.761  0.00  0.00    +0.419 C 
ATOM     18  F   LIG    1        5.850  -0.224   0.452  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        4.876  -1.314   2.061  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.810  -2.085   0.030  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   1  11
TORSDOF 3