REMARK  Name = BDB028836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.647   0.479  -2.125  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.172   0.811   1.504  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.157   0.675   0.827  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -4.218   0.193  -0.455  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -5.142  -0.035  -0.798  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.172  -0.195  -1.263  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -3.412  -0.798  -2.308  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.766   0.080  -0.727  0.00  0.00    +0.139 C 
ATOM      9  C   LIG    1       -1.799   1.255   0.251  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -2.779   0.949   1.374  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.935   0.015  -1.450  0.00  0.00    +0.098 A 
ATOM     12  N   LIG    1        1.006  -0.358  -0.152  0.00  0.00    -0.248 NA
ATOM     13  C   LIG    1        2.228  -0.702   0.333  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1        3.392  -0.688  -0.421  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        3.297  -0.297  -1.756  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.053   0.059  -2.278  0.00  0.00    +0.035 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.702  -1.067   0.139  0.00  0.00    +0.338 C 
ATOM     18  O   LIG    1        5.757  -1.072  -0.468  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.633  -1.420   1.433  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        5.559  -1.645   1.670  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  11
TORSDOF 4