REMARK  Name = BDB028843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.561   0.466   0.599  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -1.262   0.084   0.260  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1       -0.998  -1.146  -0.259  0.00  0.00    -0.248 NA
ATOM      4  C   LIG    1       -2.029  -2.006  -0.419  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -3.341  -1.703  -0.103  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.611  -0.443   0.414  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.746   2.554   0.449  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.896   3.498   0.783  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -3.985   2.346  -0.511  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1       -2.881   1.782   1.175  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.434   2.146   2.252  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   2  12
ATOM     12  S   LIG    1        0.128   1.206   0.368  0.00  0.00    -0.092 S 
BRANCH  12  13
ATOM     13  C   LIG    1        1.543   0.053   0.193  0.00  0.00    +0.139 C 
ATOM     14  C   LIG    1        2.756   0.611   0.939  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        2.704   1.182   2.027  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        3.987   0.361   0.373  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        4.783   0.693   0.901  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.273  -0.456  -0.691  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.429  -0.755  -0.972  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.090  -1.022  -1.435  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        1.875  -0.117  -1.291  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 3