REMARK  Name = BDB028786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118   0.311   0.035  0.00  0.00    +0.141 C 
ATOM      2  C   LIG    1        2.318   1.207   0.340  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        2.280   2.436   0.374  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        3.527   0.567   0.507  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        4.323   1.168   0.669  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        3.803  -0.769   0.364  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1        4.955  -1.188   0.419  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.628  -1.668   0.067  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        1.341  -1.082   0.626  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -0.397   1.047   0.743  0.00  0.00    -0.075 S 
BRANCH  10  13
ATOM     11  C   LIG    1       -3.543   1.642   0.679  0.00  0.00    +0.151 C 
ATOM     12  N   LIG    1       -2.935   0.655  -0.179  0.00  0.00    -0.329 N 
ATOM     13  C   LIG    1       -1.611   0.314  -0.249  0.00  0.00    +0.169 A 
ATOM     14  N   LIG    1       -1.399  -0.621  -1.147  0.00  0.00    -0.230 NA
ATOM     15  C   LIG    1       -2.632  -0.896  -1.679  0.00  0.00    +0.131 A 
ATOM     16  C   LIG    1       -3.602  -0.117  -1.093  0.00  0.00    +0.107 A 
ENDBRANCH  10  13
ENDBRANCH   1  10
TORSDOF 2