REMARK  Name = BDB028835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.891   0.700   0.487  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.060  -0.040   1.324  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.306   0.052   1.123  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.856   0.850   0.177  0.00  0.00    -0.249 NA
ATOM      5  C   LIG    1        0.020   1.579  -0.595  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -1.354   1.542  -0.482  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.702  -0.501  -1.535  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1       -4.162   0.264  -0.383  0.00  0.00    -0.304 N 
ATOM      9  C   LIG    1       -3.350   0.632   0.688  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1       -3.776   0.930   1.801  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -5.601   0.294  -0.179  0.00  0.00    +0.132 C 
ENDBRANCH   1   9
BRANCH   3  12
ATOM     12  S   LIG    1        1.392  -0.899   2.171  0.00  0.00    -0.093 S 
BRANCH  12  13
ATOM     13  C   LIG    1        2.881  -1.092   1.120  0.00  0.00    +0.139 C 
ATOM     14  C   LIG    1        2.535  -1.494  -0.312  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        1.652  -2.300  -0.607  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        3.341  -0.976  -1.300  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.103  -1.243  -2.244  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.530  -0.310  -1.149  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.230  -0.037  -2.120  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.968  -0.029   0.267  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        3.772   0.148   1.188  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 3