REMARK  Name = BDB028802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.405   1.723   0.745  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.391   1.051   0.586  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.293   1.565  -0.057  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.408   2.491  -0.445  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.156   0.893  -0.455  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.369   1.449  -1.218  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.978  -0.505   0.140  0.00  0.00    +0.139 C 
ATOM      8  C   LIG    1       -2.340  -1.190   0.241  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.261  -0.354   1.119  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.113  -1.541  -0.900  0.00  0.00    -0.093 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.681  -0.764  -0.562  0.00  0.00    +0.098 A 
ATOM     12  N   LIG    1        1.892  -0.287   0.686  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        3.099   0.284   0.928  0.00  0.00    +0.132 A 
ATOM     14  C   LIG    1        4.108   0.391  -0.015  0.00  0.00    +0.059 A 
ATOM     15 CL   LIG    1        5.608   1.126   0.374  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        3.877  -0.118  -1.286  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.644  -0.710  -1.565  0.00  0.00    +0.036 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2