REMARK  Name = BDB036898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219  -0.098  -2.365  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.373   0.857  -1.262  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.376   0.552  -0.214  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.805   0.741  -0.733  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -3.104   1.368  -1.746  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.795   0.152   0.025  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.736   0.277  -0.324  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.642  -0.822   0.979  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.609  -1.426   1.431  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.233  -1.077   1.460  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.227  -0.865   0.338  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.928   1.863  -0.876  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        1.640   2.191  -2.092  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.448   2.895   0.018  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        1.986   0.791   0.075  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        1.946   0.839   1.473  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        2.789   0.008   2.212  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.673  -0.851   1.557  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.727  -0.877   0.162  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.888  -0.049  -0.584  0.00  0.00    +0.028 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3