REMARK  Name = BDB028795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.592   0.459  -0.423  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.448   0.092  -0.170  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.190  -0.732   0.896  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.998  -1.039   1.419  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.997  -1.324   1.241  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -1.962  -2.164   2.139  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.756  -0.873   0.483  0.00  0.00    +0.141 C 
ATOM      8  C   LIG    1       -1.141  -0.488  -0.946  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.259   0.544  -0.981  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.001   0.499   1.434  0.00  0.00    -0.073 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.613   0.566   0.697  0.00  0.00    +0.189 A 
ATOM     12  N   LIG    1        2.325   1.681   0.928  0.00  0.00    -0.230 NA
ATOM     13  C   LIG    1        3.554   1.734   0.384  0.00  0.00    +0.115 A 
ATOM     14  C   LIG    1        4.088   0.725  -0.379  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.278  -0.369  -0.561  0.00  0.00    +0.115 A 
ATOM     16  N   LIG    1        2.040  -0.473  -0.040  0.00  0.00    -0.230 NA
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2