REMARK  Name = BDB028759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.585   1.986  -0.239  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.538   1.351  -0.139  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.593   1.694   0.794  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.837   2.467   1.399  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.433   1.029   1.113  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.756   1.390   2.075  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.034  -0.134   0.215  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.282  -0.803  -0.362  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.209   0.192  -1.046  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.069   0.492  -1.114  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.651  -0.052  -0.499  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.201   0.478   0.674  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.447   0.039   1.128  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        4.142  -0.921   0.403  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        5.336  -1.342   0.838  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        3.616  -1.448  -0.771  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.370  -1.010  -1.225  0.00  0.00    +0.017 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2