REMARK  Name = BDB054826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.298  -1.720   1.222  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.858  -0.889   0.535  0.00  0.00    +0.264 C 
ATOM      3  C   LIG    1        2.280   0.279  -0.223  0.00  0.00    +0.096 C 
ATOM      4  C   LIG    1        1.022   0.722  -0.342  0.00  0.00    +0.038 C 
ATOM      5  N   LIG    1        3.345   0.871  -0.863  0.00  0.00    -0.293 N 
ATOM      6  H   LIG    1        3.299   1.682  -1.464  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        4.510   0.196  -0.564  0.00  0.00    +0.141 C 
ATOM      8  S   LIG    1        6.011   0.578  -1.126  0.00  0.00    -0.018 S 
ATOM      9  N   LIG    1        4.204  -0.839   0.272  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        4.862  -1.508   0.636  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.173   0.228   0.259  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.476   0.225  -0.332  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.354  -0.314   0.611  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -3.723  -0.475   0.369  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.214  -0.073  -0.876  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.366   0.466  -1.840  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -1.611  -0.619   1.728  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -1.983  -1.031   2.572  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -1.999   0.619  -1.583  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.300  -0.269   1.536  0.00  0.00    +0.091 A 
ENDBRANCH   4  11
TORSDOF 1