REMARK  Name = BDB029481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.998   0.566  -0.924  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.822   0.439  -0.596  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.295   1.177   0.432  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.933   1.888   0.769  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.973   1.534   0.520  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.650   2.626   0.976  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.984   0.498   0.020  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.557   1.070  -0.064  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.287  -0.107   0.089  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.416  -1.202   0.741  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -1.798  -0.625   1.054  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.471  -0.006  -1.349  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -3.895  -0.540  -1.276  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.645  -0.089   0.059  0.00  0.00    +0.162 A 
ATOM     15  S   LIG    1        2.564   1.276  -0.470  0.00  0.00    -0.052 S 
ATOM     16  C   LIG    1        4.030   0.428  -0.193  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        3.730  -0.847   0.279  0.00  0.00    +0.098 A 
ATOM     18  C   LIG    1        4.794  -1.712   0.568  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        6.082  -1.320   0.395  0.00  0.00    -0.261 NA
ATOM     20  C   LIG    1        6.325  -0.075  -0.065  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        5.348   0.854  -0.380  0.00  0.00    +0.037 A 
ATOM     22  N   LIG    1        2.378  -1.122   0.412  0.00  0.00    -0.223 NA
ENDBRANCH   9  14
TORSDOF 1