REMARK  Name = BDB028016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.742  -0.645   0.380  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -1.621   0.164   0.586  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.421  -0.139  -0.057  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -0.358  -1.234  -0.921  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.479  -2.049  -1.110  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.674  -1.763  -0.453  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.008   0.957   0.171  0.00  0.00    +0.200 C 
ATOM      8  S   LIG    1       -4.256  -0.259   1.221  0.00  0.00    -0.006 S 
ATOM      9  O   LIG    1       -3.906   0.377   2.477  0.00  0.00    -0.170 OA
ATOM     10  O   LIG    1       -5.087  -1.448   1.198  0.00  0.00    -0.170 OA
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  O   LIG    1        0.604   0.728   0.196  0.00  0.00    -0.480 OA
BRANCH  11  12
ATOM     12  C   LIG    1        1.930   0.209   0.139  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1        2.625   0.494  -1.201  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1        2.032   0.624  -2.269  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        4.000   0.561  -1.169  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1        4.450   0.748  -2.055  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.813   0.626  -0.065  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.021   0.811  -0.178  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.150   0.405   1.271  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        2.714   0.897   1.256  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 3